#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si8 s HIS 5 N 0.00 3.44 0.20 1.08 3.76 -1.26 -5.06 115.29 117.45 1si8 s HIS 5 Ca 0.00 0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 55.03 1si8 s HIS 5 Cb 0.00 -2.19 -0.09 0.00 1.11 0.00 0.00 32.58 31.41 1si8 s HIS 5 CO 0.00 0.32 1.31 -1.17 -0.85 0.00 0.00 174.74 174.35 1si8 s LEU 6 N 0.26 4.42 0.33 0.89 2.96 -1.26 -4.95 118.68 121.33 1si8 s LEU 6 Ca 0.11 2.41 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1si8 s LEU 6 Cb -0.12 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1si8 s LEU 6 CO 0.00 -0.53 0.10 0.42 -1.32 0.00 0.00 176.35 175.02 1si8 s THR 7 N 0.08 0.77 0.53 3.68 -4.23 -1.26 -0.43 115.64 114.77 1si8 s THR 7 Ca 0.56 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1si8 s THR 7 Cb -0.37 -2.60 0.11 0.00 1.34 0.00 0.00 72.50 70.99 1si8 s THR 7 CO 0.39 0.00 0.72 0.35 -0.54 0.00 0.00 174.62 175.54 1si8 n THR 8 N -0.69 0.00 0.46 3.99 -2.24 0.11 -4.80 114.28 111.12 1si8 n THR 8 Ca -0.02 -0.83 0.10 0.00 -2.27 0.00 0.00 64.05 61.03 1si8 n THR 8 Cb 0.66 -1.35 0.41 0.00 -2.10 0.00 0.00 70.33 67.95 1si8 n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1si8 n SER 9 N -3.21 0.35 -1.22 3.42 3.41 -1.26 -2.05 113.62 113.07 1si8 n SER 9 Ca 0.10 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1si8 n SER 9 Cb 0.37 -0.66 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 1si8 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1si8 n GLN 10 N -1.89 3.32 -0.96 4.33 1.13 -1.26 -4.96 117.38 117.09 1si8 n GLN 10 Ca 0.03 -2.66 0.00 0.00 -1.94 0.00 0.00 57.00 52.42 1si8 n GLN 10 Cb 0.21 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1si8 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1si8 n GLY 11 N 0.72 0.68 3.74 1.08 0.00 -0.87 -5.03 105.19 105.51 1si8 n GLY 11 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1si8 n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1si8 s SER 12 N -2.35 7.28 0.51 1.61 0.15 -1.26 -4.73 113.70 114.91 1si8 s SER 12 Ca 0.00 1.53 -0.23 0.00 0.70 0.00 0.00 55.95 57.95 1si8 s SER 12 Cb 0.00 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1si8 s SER 12 CO 0.00 0.02 1.31 -2.16 1.20 0.00 0.00 173.24 173.61 1si8 s PRO 13 N -0.14 3.38 -0.25 5.44 0.04 -1.26 0.07 135.00 142.28 1si8 s PRO 13 Ca 0.40 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1si8 s PRO 13 Cb -0.21 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1si8 s PRO 13 CO 0.24 -0.97 0.23 0.08 0.04 0.00 0.00 177.00 176.63 1si8 s VAL 14 N -1.35 5.30 0.00 -0.36 1.01 0.43 -4.80 120.40 120.62 1si8 s VAL 14 Ca 0.68 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 1si8 s VAL 14 Cb -0.38 -3.57 -0.28 0.00 0.00 0.00 0.00 36.38 32.16 1si8 s VAL 14 CO 0.45 0.28 1.04 1.23 0.00 0.00 0.00 175.10 178.10 1si8 h GLY 15 N 7.92 0.50 -7.15 4.51 0.00 -1.95 -3.45 103.07 103.45 1si8 h GLY 15 Ca -0.36 -1.03 -0.45 0.00 0.00 0.00 0.00 47.33 45.49 1si8 h GLY 15 CO 0.63 0.91 -0.75 -0.35 0.00 0.00 0.00 176.54 176.98 1si8 s ASP 16 N -7.02 2.01 -0.10 0.19 -1.08 -1.26 -4.99 116.67 104.41 1si8 s ASP 16 Ca -0.12 -0.37 0.17 0.00 -0.52 0.00 0.00 52.55 51.71 1si8 s ASP 16 Cb 0.03 -0.34 0.62 0.00 -1.46 0.00 0.00 42.92 41.77 1si8 s ASP 16 CO 0.86 -0.28 1.53 -3.20 0.52 0.00 0.00 175.17 174.60 1si8 n ASN 17 N 5.20 4.27 -0.00 -0.34 5.15 -1.26 -4.36 115.26 123.92 1si8 n ASN 17 Ca -0.06 -2.42 -0.00 0.00 -0.60 0.00 0.00 54.58 51.49 1si8 n ASN 17 Cb 0.49 -0.51 -0.01 0.00 -0.53 0.00 0.00 39.78 39.23 1si8 n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 18 N 0.82 3.40 -4.72 1.20 1.13 -1.26 -5.05 117.38 112.90 1si8 n GLN 18 Ca 0.23 -0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 55.04 1si8 n GLN 18 Cb 0.79 -1.02 -0.16 0.00 0.11 0.00 0.00 30.24 29.96 1si8 n GLN 18 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1si8 s ASN 19 N -2.99 1.93 0.53 1.08 0.01 -1.26 -5.13 114.94 109.11 1si8 s ASN 19 Ca -0.00 -0.31 -0.17 0.00 -0.71 0.00 0.00 52.86 51.66 1si8 s ASN 19 Cb 0.00 -0.54 -0.07 0.00 0.41 0.00 0.00 41.25 41.05 1si8 s ASN 19 CO 0.04 0.13 1.02 -0.44 -1.51 0.00 0.00 177.10 176.33 1si8 s SER 20 N 0.10 6.29 0.14 -1.22 0.01 -1.26 -4.86 113.70 112.88 1si8 s SER 20 Ca -0.04 1.74 -0.31 0.00 1.31 0.00 0.00 55.95 58.65 1si8 s SER 20 Cb -0.11 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1si8 s SER 20 CO 0.02 -0.82 1.40 -0.76 0.41 0.00 0.00 173.24 173.49 1si8 s LEU 21 N -4.05 4.38 0.03 2.44 1.43 -1.26 -4.99 118.68 116.66 1si8 s LEU 21 Ca 0.62 2.39 0.02 0.00 -1.03 0.00 0.00 54.13 56.14 1si8 s LEU 21 Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1si8 s LEU 21 CO 0.30 -0.66 -0.07 0.28 0.23 0.00 0.00 176.35 176.42 1si8 s THR 22 N 0.92 0.52 -1.28 5.49 -1.32 -1.26 -1.54 115.64 117.16 1si8 s THR 22 Ca 0.64 -0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 60.03 1si8 s THR 22 Cb -0.38 -0.56 0.11 0.00 -1.51 0.00 0.00 72.50 70.15 1si8 s THR 22 CO 0.32 -0.29 1.69 0.00 -2.21 0.00 0.00 174.62 174.13 1si8 n ALA 23 N 1.73 3.94 0.00 11.08 0.00 -0.50 -4.79 120.51 131.96 1si8 n ALA 23 Ca -0.21 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.22 1si8 n ALA 23 Cb 0.55 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1si8 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 24 N 4.71 0.99 0.35 0.00 0.00 -1.26 -3.52 105.19 106.46 1si8 n GLY 24 Ca 0.45 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.95 1si8 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1si8 h GLU 25 N 0.00 0.00 -0.26 1.61 4.81 -2.00 0.12 114.58 118.86 1si8 h GLU 25 Ca 0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1si8 h GLU 25 Cb 0.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1si8 h GLU 25 CO 0.00 0.00 -0.01 1.19 -0.73 0.00 0.00 179.01 179.46 1si8 n PHE 26 N -5.51 0.90 -2.29 0.92 3.01 -1.26 -5.03 117.46 108.20 1si8 n PHE 26 Ca 0.23 -1.07 -0.25 0.00 1.01 0.00 0.00 57.45 57.36 1si8 n PHE 26 Cb 0.74 -0.35 0.08 0.00 -0.01 0.00 0.00 39.48 39.94 1si8 n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1si8 s GLY 27 N -2.18 1.73 0.71 1.37 0.00 0.41 -5.04 107.32 104.32 1si8 s GLY 27 Ca 0.42 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 1si8 s GLY 27 CO 0.06 -0.67 1.14 2.56 0.00 0.00 0.00 173.10 176.19 1si8 s PRO 28 N -5.21 2.39 0.30 2.90 0.04 -1.26 -4.32 135.00 129.83 1si8 s PRO 28 Ca 0.62 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1si8 s PRO 28 Cb -0.09 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1si8 s PRO 28 CO 0.44 -1.59 1.08 0.08 0.04 0.00 0.00 177.00 177.05 1si8 s VAL 29 N -2.31 3.56 0.04 -0.36 1.01 -1.26 -1.41 120.40 119.66 1si8 s VAL 29 Ca 0.69 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 64.02 1si8 s VAL 29 Cb -0.23 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1si8 s VAL 29 CO 0.45 0.31 0.46 -0.76 0.00 0.00 0.00 175.10 175.56 1si8 s LEU 30 N -1.63 4.47 0.57 3.92 1.43 -0.59 -4.92 118.68 121.93 1si8 s LEU 30 Ca 0.46 1.03 0.35 0.00 -1.03 0.00 0.00 54.13 54.95 1si8 s LEU 30 Cb -0.30 -2.75 1.54 0.00 0.03 0.00 0.00 46.19 44.71 1si8 s LEU 30 CO 0.38 0.28 2.05 -0.29 0.23 0.00 0.00 176.35 179.00 1si8 h ILE 31 N 3.52 0.01 0.00 -0.59 2.10 -1.95 -2.74 117.51 117.85 1si8 h ILE 31 Ca -0.51 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.00 1si8 h ILE 31 Cb 1.21 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1si8 h ILE 31 CO 0.63 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.70 1si8 n GLN 32 N -3.10 0.82 -2.37 2.19 10.64 -1.26 -4.22 117.38 120.08 1si8 n GLN 32 Ca -0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1si8 n GLN 32 Cb 0.27 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 1si8 n GLN 32 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1si8 n ASP 33 N -0.82 4.72 -0.05 2.61 -0.08 -1.04 -4.76 116.55 117.13 1si8 n ASP 33 Ca 0.13 -2.94 0.10 0.00 -1.51 0.00 0.00 54.79 50.57 1si8 n ASP 33 Cb 0.06 -1.64 0.49 0.00 2.34 0.00 0.00 41.12 42.37 1si8 n ASP 33 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1si8 h VAL 34 N 4.63 0.95 -0.45 5.18 -1.51 -1.89 -1.87 116.25 121.29 1si8 h VAL 34 Ca 0.45 -0.14 -0.13 0.00 -1.23 0.00 0.00 66.70 65.64 1si8 h VAL 34 Cb 0.76 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1si8 h VAL 34 CO 1.57 0.08 -0.25 -0.74 -1.23 0.00 0.00 177.57 177.00 1si8 h HIS 35 N 0.42 1.08 -0.08 5.19 -0.00 -1.95 0.27 115.15 120.08 1si8 h HIS 35 Ca 0.23 -0.27 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1si8 h HIS 35 Cb 0.38 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1si8 h HIS 35 CO -0.00 1.08 -0.03 1.25 -0.00 0.00 0.00 177.93 180.22 1si8 h LEU 36 N 0.80 -0.11 0.02 0.26 5.85 -1.75 0.15 115.31 120.54 1si8 h LEU 36 Ca 0.10 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1si8 h LEU 36 Cb 0.82 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1si8 h LEU 36 CO 0.07 -0.04 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.87 1si8 h LEU 37 N -0.02 -0.54 -0.32 2.25 4.07 -1.27 -1.41 115.31 118.08 1si8 h LEU 37 Ca 0.04 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.09 1si8 h LEU 37 Cb 0.08 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1si8 h LEU 37 CO -0.10 -0.25 0.19 -0.08 -1.08 0.00 0.00 178.44 177.12 1si8 h GLU 38 N -0.32 0.38 -0.59 1.13 4.81 -0.64 0.13 114.58 119.50 1si8 h GLU 38 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1si8 h GLU 38 Cb 0.38 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1si8 h GLU 38 CO -0.16 0.25 0.38 -0.22 -0.73 0.00 0.00 179.01 178.54 1si8 h LYS 39 N 0.40 0.76 -0.31 1.92 3.64 -0.55 -0.20 116.57 122.23 1si8 h LYS 39 Ca 0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1si8 h LYS 39 Cb -0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1si8 h LYS 39 CO -0.05 0.50 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.33 1si8 h LEU 40 N 0.78 0.74 -0.71 5.20 4.07 -1.05 -2.36 115.31 121.98 1si8 h LEU 40 Ca 0.22 -0.45 -0.07 0.00 0.08 0.00 0.00 57.88 57.67 1si8 h LEU 40 Cb -0.07 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.43 1si8 h LEU 40 CO -0.06 1.03 0.18 0.00 -1.08 0.00 0.00 178.44 178.52 1si8 h ALA 41 N 0.73 0.93 -0.22 1.53 0.00 -0.42 -0.07 119.26 121.74 1si8 h ALA 41 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 1si8 h ALA 41 Cb 0.80 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1si8 h ALA 41 CO 0.06 0.64 -0.53 1.25 0.00 0.00 0.00 179.25 180.68 1si8 h HIS 42 N 1.06 0.78 -0.81 0.00 -0.00 -1.07 -2.68 115.15 112.44 1si8 h HIS 42 Ca 0.22 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1si8 h HIS 42 Cb 0.36 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 1si8 h HIS 42 CO 0.03 1.02 0.50 0.35 -0.00 0.00 0.00 177.93 179.83 1si8 h PHE 43 N 0.49 1.05 0.00 5.26 3.57 -1.12 -1.84 116.94 124.35 1si8 h PHE 43 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1si8 h PHE 43 Cb 1.09 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1si8 h PHE 43 CO 0.05 0.69 0.00 -0.91 -2.23 0.00 0.00 178.31 175.91 1si8 h ASN 44 N 1.11 0.00 -0.32 0.41 2.35 -0.68 -2.77 115.58 115.68 1si8 h ASN 44 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1si8 h ASN 44 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1si8 h ASN 44 CO -0.06 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.26 1si8 n ARG 45 N -3.02 3.05 0.10 0.81 1.74 -0.70 -4.64 116.66 114.00 1si8 n ARG 45 Ca -0.02 -2.66 -0.00 0.00 -0.77 0.00 0.00 57.85 54.40 1si8 n ARG 45 Cb 0.14 -1.72 0.29 0.00 -1.02 0.00 0.00 32.46 30.15 1si8 n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1si8 h GLU 46 N 2.08 0.25 -6.58 5.56 5.08 -1.35 -3.44 114.58 116.18 1si8 h GLU 46 Ca 0.00 -0.09 -0.51 0.00 -1.00 0.00 0.00 59.36 57.75 1si8 h GLU 46 Cb 1.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1si8 h GLU 46 CO 0.18 0.52 0.26 1.03 -1.00 0.00 0.00 179.01 180.00 1si8 s ARG 47 N -4.40 4.68 0.26 2.33 1.81 -1.26 -5.07 118.95 117.30 1si8 s ARG 47 Ca -0.05 1.30 0.09 0.00 -1.72 0.00 0.00 55.73 55.35 1si8 s ARG 47 Cb 0.14 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 1si8 s ARG 47 CO 0.76 0.47 -0.12 0.14 -0.68 0.00 0.00 175.30 175.87 1si8 s VAL 48 N -0.88 1.93 0.33 3.52 -7.23 -1.26 -5.10 120.40 111.71 1si8 s VAL 48 Ca 0.39 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 1si8 s VAL 48 Cb -0.24 -2.30 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 1si8 s VAL 48 CO 0.28 -0.41 1.36 -2.16 -0.31 0.00 0.00 175.10 173.86 1si8 s PRO 49 N -3.64 4.30 0.79 4.82 0.04 -1.26 -4.98 135.00 135.06 1si8 s PRO 49 Ca 0.27 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 1si8 s PRO 49 Cb 0.00 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.55 1si8 s PRO 49 CO 0.11 -0.28 1.10 -1.83 0.04 0.00 0.00 177.00 176.14 1si8 s GLU 50 N -1.67 2.16 0.38 4.56 -1.05 -1.26 -4.93 118.70 116.90 1si8 s GLU 50 Ca 0.51 0.61 -0.28 0.00 -0.15 0.00 0.00 54.97 55.66 1si8 s GLU 50 Cb -0.41 -1.93 -0.10 0.00 -0.44 0.00 0.00 34.13 31.24 1si8 s GLU 50 CO 0.54 -1.56 1.45 1.03 0.95 0.00 0.00 175.26 177.66 1si8 s ARG 51 N -5.18 4.08 0.53 -4.83 0.52 -1.26 -4.86 118.95 107.95 1si8 s ARG 51 Ca 0.60 2.49 0.22 0.00 -0.52 0.00 0.00 55.73 58.52 1si8 s ARG 51 Cb -0.14 -2.93 1.37 0.00 0.52 0.00 0.00 34.95 33.77 1si8 s ARG 51 CO 0.54 -0.52 2.08 -0.24 0.02 0.00 0.00 175.30 177.17 1si8 h VAL 52 N 2.87 0.83 -3.90 3.52 3.04 -1.98 -3.38 116.25 117.25 1si8 h VAL 52 Ca -0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.07 1si8 h VAL 52 Cb 1.24 0.86 -0.16 0.00 -2.01 0.00 0.00 31.29 31.22 1si8 h VAL 52 CO 0.64 0.00 -0.53 0.68 -1.01 0.00 0.00 177.57 177.35 1si8 s VAL 53 N -5.00 0.15 -1.30 1.51 -7.23 -1.26 -4.89 120.40 102.39 1si8 s VAL 53 Ca -0.05 -1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1si8 s VAL 53 Cb 0.18 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 36.02 1si8 s VAL 53 CO 0.69 -0.69 0.33 1.41 -0.31 0.00 0.00 175.10 176.53 1si8 n HIS 54 N 0.47 -1.32 -0.26 2.82 -0.00 -0.39 -4.92 115.22 111.62 1si8 n HIS 54 Ca -0.17 0.29 -0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1si8 n HIS 54 Cb 0.60 -3.66 0.08 0.00 -0.00 0.00 0.00 29.99 27.00 1si8 n HIS 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1si8 h ALA 55 N 0.79 1.04 -1.96 -1.41 0.00 -1.73 -3.41 119.26 112.58 1si8 h ALA 55 Ca -0.41 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 1si8 h ALA 55 Cb 1.29 -0.29 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1si8 h ALA 55 CO 0.46 0.66 0.38 0.21 0.00 0.00 0.00 179.25 180.95 1si8 s LYS 56 N -5.43 3.31 0.31 0.00 2.47 -1.26 -4.71 119.74 114.44 1si8 s LYS 56 Ca -0.12 -0.34 -0.03 0.00 -1.56 0.00 0.00 55.97 53.92 1si8 s LYS 56 Cb 0.15 -4.02 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 1si8 s LYS 56 CO 0.84 -1.29 0.42 0.20 0.16 0.00 0.00 175.35 175.67 1si8 s GLY 57 N 2.55 1.44 0.04 5.54 0.00 -1.26 -2.52 107.32 113.11 1si8 s GLY 57 Ca 0.27 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1si8 s GLY 57 CO 0.19 -1.04 -0.06 0.00 0.00 0.00 0.00 173.10 172.19 1si8 s ALA 58 N -3.35 0.45 0.20 3.20 0.00 0.02 -4.96 121.76 117.33 1si8 s ALA 58 Ca 0.31 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1si8 s ALA 58 Cb 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1si8 s ALA 58 CO 0.19 -0.10 0.05 0.20 0.00 0.00 0.00 175.76 176.09 1si8 s GLY 59 N -1.74 1.41 -0.11 0.00 0.00 -1.26 -0.33 107.32 105.29 1si8 s GLY 59 Ca -0.09 -1.69 -0.31 0.00 0.00 0.00 0.00 44.72 42.63 1si8 s GLY 59 CO -0.01 -1.53 0.84 0.00 0.00 0.00 0.00 173.10 172.40 1si8 s ALA 60 N -3.76 -1.85 0.31 3.20 0.00 -0.66 -4.48 121.76 114.52 1si8 s ALA 60 Ca 0.30 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 1si8 s ALA 60 Cb 0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1si8 s ALA 60 CO 0.08 -0.34 0.61 -1.01 0.00 0.00 0.00 175.76 175.10 1si8 s HIS 61 N -1.14 3.47 0.00 0.00 3.76 0.12 -1.28 115.29 120.22 1si8 s HIS 61 Ca -0.06 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1si8 s HIS 61 Cb -0.00 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.49 1si8 s HIS 61 CO 0.06 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.47 1si8 n GLY 62 N -0.96 2.28 3.19 -2.22 0.00 -0.10 -1.42 105.19 105.96 1si8 n GLY 62 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1si8 n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1si8 s ILE 63 N -2.50 0.14 -0.06 -0.61 -4.36 0.06 -1.40 121.20 112.46 1si8 s ILE 63 Ca 0.00 -1.12 0.05 0.00 -0.26 0.00 0.00 60.65 59.32 1si8 s ILE 63 Cb 0.00 -1.20 -0.00 0.00 1.25 0.00 0.00 42.46 42.51 1si8 s ILE 63 CO 0.00 -0.62 -0.21 0.12 0.24 0.00 0.00 174.94 174.47 1si8 s PHE 64 N -3.42 2.14 -0.12 1.37 5.36 0.13 -0.85 117.98 122.59 1si8 s PHE 64 Ca 0.02 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1si8 s PHE 64 Cb 0.03 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1si8 s PHE 64 CO -0.09 -0.25 -0.14 0.21 -1.46 0.00 0.00 175.22 173.49 1si8 s LYS 65 N 0.09 2.16 0.12 10.12 2.20 -0.02 -0.96 119.74 133.46 1si8 s LYS 65 Ca -0.08 -0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 54.69 1si8 s LYS 65 Cb -0.14 -1.90 -0.07 0.00 -1.51 0.00 0.00 37.83 34.20 1si8 s LYS 65 CO 0.04 -0.12 1.31 0.08 -0.36 0.00 0.00 175.35 176.30 1si8 s VAL 66 N 1.17 3.52 -0.11 4.02 1.01 -0.62 -0.66 120.40 128.72 1si8 s VAL 66 Ca -0.03 1.13 0.13 0.00 0.00 0.00 0.00 61.98 63.21 1si8 s VAL 66 Cb -0.14 -3.72 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 1si8 s VAL 66 CO -0.04 0.11 0.11 -1.54 0.00 0.00 0.00 175.10 173.73 1si8 n SER 67 N 3.61 1.55 -3.77 3.32 3.41 0.45 0.54 113.62 122.73 1si8 n SER 67 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 1si8 n SER 67 Cb 0.44 1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 65.24 1si8 n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1si8 s GLN 68 N -2.49 0.50 0.40 4.33 -0.21 -0.74 -4.79 119.66 116.66 1si8 s GLN 68 Ca -0.07 0.13 -0.27 0.00 0.02 0.00 0.00 55.36 55.18 1si8 s GLN 68 Cb 0.05 -0.86 -0.09 0.00 1.00 0.00 0.00 33.01 33.11 1si8 s GLN 68 CO 0.59 -0.28 1.41 0.45 -2.12 0.00 0.00 175.29 175.33 1si8 s SER 69 N 1.85 6.23 -0.10 5.90 0.15 -1.26 -4.72 113.70 121.75 1si8 s SER 69 Ca 0.03 2.88 0.14 0.00 0.70 0.00 0.00 55.95 59.70 1si8 s SER 69 Cb -0.12 -2.66 0.39 0.00 -1.71 0.00 0.00 66.02 61.92 1si8 s SER 69 CO -0.04 -0.93 1.31 0.23 1.20 0.00 0.00 173.24 175.00 1si8 n MET 70 N 0.21 2.76 0.01 5.44 0.00 -0.75 -4.73 117.12 120.06 1si8 n MET 70 Ca 0.03 -2.45 0.23 0.00 0.00 0.00 0.00 57.70 55.50 1si8 n MET 70 Cb 0.41 -1.56 0.72 0.00 0.00 0.00 0.00 33.22 32.79 1si8 n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1si8 h ALA 71 N 1.57 2.35 0.00 3.04 0.00 -1.71 0.17 119.26 124.68 1si8 h ALA 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1si8 h ALA 71 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1si8 h ALA 71 CO 0.11 -0.84 0.00 0.37 0.00 0.00 0.00 179.25 178.89 1si8 h GLN 72 N 0.00 0.00 0.00 0.00 5.75 -1.96 -3.33 115.11 115.57 1si8 h GLN 72 Ca 0.27 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.71 1si8 h GLN 72 Cb 1.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.90 1si8 h GLN 72 CO -0.00 0.00 -1.31 0.66 -2.65 0.00 0.00 178.83 175.53 1si8 n TYR 73 N -2.75 0.00 -3.75 3.99 4.01 0.45 -4.80 117.16 114.31 1si8 n TYR 73 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1si8 n TYR 73 Cb 0.35 -0.20 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 1si8 n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1si8 s THR 74 N -2.22 0.03 -2.01 -0.72 -1.32 -0.41 -3.06 115.64 105.92 1si8 s THR 74 Ca -0.02 -0.22 0.11 0.00 -1.21 0.00 0.00 61.69 60.35 1si8 s THR 74 Cb 0.02 -0.55 0.30 0.00 -1.51 0.00 0.00 72.50 70.76 1si8 s THR 74 CO 0.21 -0.12 1.26 2.29 -2.21 0.00 0.00 174.62 176.05 1si8 n LYS 75 N 2.13 1.75 -1.63 7.08 2.85 -0.49 -3.88 118.16 125.97 1si8 n LYS 75 Ca -0.17 -1.16 -0.52 0.00 -1.05 0.00 0.00 58.31 55.41 1si8 n LYS 75 Cb 0.57 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.63 1si8 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1si8 n ALA 76 N 0.44 0.58 -0.19 0.58 0.00 -1.18 -4.76 120.51 115.97 1si8 n ALA 76 Ca 0.11 0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 1si8 n ALA 76 Cb 0.28 -2.42 0.09 0.00 0.00 0.00 0.00 19.45 17.39 1si8 n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1si8 h ASP 77 N 9.50 0.27 0.24 0.00 1.82 -1.91 -2.14 116.42 124.19 1si8 h ASP 77 Ca -0.42 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1si8 h ASP 77 Cb 1.30 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1si8 h ASP 77 CO 0.97 0.17 0.00 2.22 -1.61 0.00 0.00 179.24 180.99 1si8 n PHE 78 N -4.96 0.00 -0.87 0.28 -1.74 -1.26 -1.79 117.46 107.12 1si8 n PHE 78 Ca 0.07 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.04 1si8 n PHE 78 Cb 0.23 -0.41 0.14 0.00 1.52 0.00 0.00 39.48 40.95 1si8 n PHE 78 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1si8 n LEU 79 N -1.41 2.53 0.03 5.98 4.77 -0.82 -4.80 117.00 123.28 1si8 n LEU 79 Ca 0.03 -2.88 -0.16 0.00 -0.03 0.00 0.00 56.01 52.96 1si8 n LEU 79 Cb 0.09 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1si8 n LEU 79 CO 0.07 0.67 0.21 0.77 -1.33 0.00 0.00 177.39 177.78 1si8 h SER 80 N 0.31 0.78 -3.87 -1.43 4.64 -1.24 -1.99 113.55 110.76 1si8 h SER 80 Ca 0.00 -0.57 -0.57 0.00 -0.47 0.00 0.00 61.79 60.18 1si8 h SER 80 Cb 0.98 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 62.63 1si8 h SER 80 CO 0.03 1.36 -0.82 -1.61 -0.87 0.00 0.00 176.83 174.92 1si8 s GLU 81 N -3.51 1.24 0.23 4.77 2.02 -1.26 -4.53 118.70 117.66 1si8 s GLU 81 Ca -0.08 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.31 1si8 s GLU 81 Cb 0.08 -1.47 -0.10 0.00 0.10 0.00 0.00 34.13 32.75 1si8 s GLU 81 CO 0.89 0.33 1.38 0.08 0.02 0.00 0.00 175.26 177.96 1si8 s VAL 82 N -1.47 2.88 0.00 2.63 1.01 -1.26 -2.18 120.40 122.00 1si8 s VAL 82 Ca 0.11 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1si8 s VAL 82 Cb -0.08 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1si8 s VAL 82 CO 0.06 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1si8 n GLY 83 N 2.24 1.95 3.70 4.51 0.00 0.19 -4.97 105.19 112.81 1si8 n GLY 83 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1si8 n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1si8 s LYS 84 N -0.24 4.15 -0.10 1.61 2.20 -0.93 -4.59 119.74 121.84 1si8 s LYS 84 Ca 0.00 2.52 -0.04 0.00 -0.36 0.00 0.00 55.97 58.09 1si8 s LYS 84 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1si8 s LYS 84 CO 0.00 -0.77 0.06 -1.21 -0.36 0.00 0.00 175.35 173.07 1si8 s GLU 85 N 2.08 3.19 -0.04 4.03 2.02 -1.26 -1.59 118.70 127.12 1si8 s GLU 85 Ca 0.77 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.46 1si8 s GLU 85 Cb -0.46 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 30.84 1si8 s GLU 85 CO 0.34 0.72 -0.03 0.99 0.02 0.00 0.00 175.26 177.30 1si8 s THR 86 N -0.90 0.43 0.54 3.63 2.01 -0.13 -4.96 115.64 116.26 1si8 s THR 86 Ca 0.14 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.89 1si8 s THR 86 Cb -0.12 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1si8 s THR 86 CO 0.03 0.21 1.18 -2.84 -0.69 0.00 0.00 174.62 172.51 1si8 s PRO 87 N 1.03 3.30 0.17 4.92 0.02 -1.26 -0.69 135.00 142.48 1si8 s PRO 87 Ca -0.09 1.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.56 1si8 s PRO 87 Cb -0.14 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1si8 s PRO 87 CO -0.01 -0.93 0.40 -0.48 -0.33 0.00 0.00 177.00 175.65 1si8 s LEU 88 N -3.70 0.54 -0.02 -5.54 0.05 -0.49 -1.61 118.68 107.91 1si8 s LEU 88 Ca 0.72 -0.65 0.02 0.00 0.05 0.00 0.00 54.13 54.27 1si8 s LEU 88 Cb -0.28 1.66 0.01 0.00 -2.05 0.00 0.00 46.19 45.52 1si8 s LEU 88 CO 0.32 -0.96 -0.05 0.12 -0.55 0.00 0.00 176.35 175.23 1si8 s PHE 89 N -3.91 0.62 0.12 3.48 5.36 -0.59 -0.92 117.98 122.13 1si8 s PHE 89 Ca 0.12 -0.13 0.09 0.00 -0.96 0.00 0.00 56.93 56.05 1si8 s PHE 89 Cb 0.01 -0.47 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 1si8 s PHE 89 CO -0.02 -0.08 -0.22 0.00 -1.46 0.00 0.00 175.22 173.44 1si8 s ALA 90 N 0.27 2.02 -0.04 11.12 0.00 -0.40 -0.75 121.76 133.98 1si8 s ALA 90 Ca -0.03 -1.36 -0.00 0.00 0.00 0.00 0.00 51.96 50.57 1si8 s ALA 90 Cb -0.07 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1si8 s ALA 90 CO -0.00 0.40 0.00 0.50 0.00 0.00 0.00 175.76 176.66 1si8 s ARG 91 N -2.09 0.39 0.11 0.00 3.52 -0.32 -1.65 118.95 118.91 1si8 s ARG 91 Ca 0.10 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.86 1si8 s ARG 91 Cb -0.09 -0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1si8 s ARG 91 CO 0.05 -0.20 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.28 1si8 s PHE 92 N 1.45 2.96 0.17 5.12 0.08 0.55 -1.66 117.98 126.65 1si8 s PHE 92 Ca -0.04 -0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.73 1si8 s PHE 92 Cb -0.13 -1.51 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 1si8 s PHE 92 CO -0.03 0.48 0.99 -1.54 -0.10 0.00 0.00 175.22 175.03 1si8 s SER 93 N -2.43 -0.09 0.14 1.36 1.04 -1.11 -0.80 113.70 111.81 1si8 s SER 93 Ca 0.26 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.16 1si8 s SER 93 Cb -0.11 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1si8 s SER 93 CO 0.18 -0.95 0.09 0.35 0.98 0.00 0.00 173.24 173.89 1si8 n THR 94 N -0.56 0.00 -0.02 2.02 -2.24 -1.05 0.56 114.28 112.98 1si8 n THR 94 Ca -0.05 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1si8 n THR 94 Cb 0.60 -1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1si8 n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1si8 n VAL 95 N -1.22 1.22 0.09 2.28 0.31 -1.24 -3.62 118.33 116.15 1si8 n VAL 95 Ca 0.02 0.20 -0.21 0.00 -0.01 0.00 0.00 64.34 64.34 1si8 n VAL 95 Cb 0.07 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.00 1si8 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1si8 h ALA 96 N -0.44 0.03 -2.81 3.52 0.00 -1.92 -1.03 119.26 116.61 1si8 h ALA 96 Ca -0.06 -0.77 -0.57 0.00 0.00 0.00 0.00 54.91 53.52 1si8 h ALA 96 Cb 0.60 0.10 0.15 0.00 0.00 0.00 0.00 17.79 18.63 1si8 h ALA 96 CO -0.04 0.71 0.34 0.41 0.00 0.00 0.00 179.25 180.67 1si8 n GLY 97 N 1.33 0.18 3.07 0.00 0.00 -1.26 -4.92 105.19 103.59 1si8 n GLY 97 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1si8 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1si8 n GLU 98 N -0.69 -0.58 -0.34 1.61 4.71 -1.26 -3.98 120.64 120.10 1si8 n GLU 98 Ca 0.11 -1.85 0.19 0.00 -0.01 0.00 0.00 57.16 55.60 1si8 n GLU 98 Cb 0.44 -0.85 0.41 0.00 -1.01 0.00 0.00 31.44 30.43 1si8 n GLU 98 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1si8 h LEU 99 N 0.00 0.63 -1.60 -4.62 3.38 -1.96 -2.04 115.31 109.10 1si8 h LEU 99 Ca -0.31 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1si8 h LEU 99 Cb 0.95 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1si8 h LEU 99 CO 0.26 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1si8 n GLY 100 N -1.34 0.79 3.70 0.83 0.00 -1.26 -4.82 105.19 103.09 1si8 n GLY 100 Ca 0.27 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1si8 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1si8 s SER 101 N -1.73 3.36 0.42 1.61 1.04 -0.77 -5.01 113.70 112.63 1si8 s SER 101 Ca 0.34 1.82 -0.16 0.00 0.48 0.00 0.00 55.95 58.43 1si8 s SER 101 Cb 0.20 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.81 1si8 s SER 101 CO 0.30 -2.76 0.87 -0.44 0.98 0.00 0.00 173.24 172.19 1si8 s SER 102 N -3.08 6.73 0.06 7.02 0.01 -1.26 -4.87 113.70 118.30 1si8 s SER 102 Ca 0.64 1.45 -0.17 0.00 1.31 0.00 0.00 55.95 59.18 1si8 s SER 102 Cb -0.20 -2.45 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 1si8 s SER 102 CO 0.58 -0.40 1.28 0.44 0.41 0.00 0.00 173.24 175.56 1si8 h ASP 103 N 1.58 0.66 0.00 2.44 3.32 -1.05 -3.37 116.42 120.00 1si8 h ASP 103 Ca -0.48 -0.59 -0.21 0.00 0.02 0.00 0.00 57.03 55.77 1si8 h ASP 103 Cb 1.18 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 1si8 h ASP 103 CO 0.63 1.13 -0.02 0.35 -1.72 0.00 0.00 179.24 179.61 1si8 n THR 104 N -4.24 2.83 -4.10 0.35 -2.24 -1.26 -4.88 114.28 100.74 1si8 n THR 104 Ca -0.07 -1.44 -0.22 0.00 -2.27 0.00 0.00 64.05 60.05 1si8 n THR 104 Cb 0.57 -2.00 -0.04 0.00 -2.10 0.00 0.00 70.33 66.75 1si8 n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1si8 s LEU 105 N 0.01 3.77 -0.17 3.22 1.43 -1.26 -4.48 118.68 121.20 1si8 s LEU 105 Ca 0.61 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1si8 s LEU 105 Cb 0.28 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1si8 s LEU 105 CO -0.00 -0.06 1.12 -0.60 0.23 0.00 0.00 176.35 177.03 1si8 s ARG 106 N -3.85 4.29 0.00 1.70 3.52 -1.26 -4.70 118.95 118.65 1si8 s ARG 106 Ca 0.33 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.43 1si8 s ARG 106 Cb -0.08 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1si8 s ARG 106 CO 0.25 -0.58 0.00 -3.47 -0.81 0.00 0.00 175.30 170.69 1si8 n ASP 107 N 6.07 0.00 -4.80 -2.12 2.03 -1.00 -5.04 116.55 111.69 1si8 n ASP 107 Ca 0.12 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.12 1si8 n ASP 107 Cb 0.46 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.92 1si8 n ASP 107 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1si8 s PRO 108 N -2.00 2.71 -0.08 -0.67 0.02 -1.26 -4.72 135.00 129.00 1si8 s PRO 108 Ca 0.00 1.03 0.02 0.00 0.02 0.00 0.00 61.00 62.07 1si8 s PRO 108 Cb 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1si8 s PRO 108 CO 0.00 -1.28 -0.13 1.03 -0.33 0.00 0.00 177.00 176.29 1si8 s ARG 109 N -5.00 2.86 0.38 5.54 1.81 -1.26 -3.71 118.95 119.57 1si8 s ARG 109 Ca 0.59 -0.68 -0.24 0.00 -1.72 0.00 0.00 55.73 53.68 1si8 s ARG 109 Cb -0.15 -2.49 -0.10 0.00 -0.45 0.00 0.00 34.95 31.76 1si8 s ARG 109 CO 0.55 0.47 1.00 0.20 -0.68 0.00 0.00 175.30 176.85 1si8 s GLY 110 N -0.32 2.70 -0.44 -3.53 0.00 0.19 -0.85 107.32 105.06 1si8 s GLY 110 Ca 0.03 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1si8 s GLY 110 CO 0.02 1.01 0.46 0.33 0.00 0.00 0.00 173.10 174.92 1si8 n PHE 111 N 0.02 -0.00 -3.35 1.90 -0.00 0.12 -2.75 117.46 113.40 1si8 n PHE 111 Ca 0.04 -3.56 -0.38 0.00 -0.00 0.00 0.00 57.45 53.56 1si8 n PHE 111 Cb 0.50 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.48 39.79 1si8 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1si8 s ALA 112 N -0.79 3.50 -0.05 3.13 0.00 -0.66 -1.57 121.76 125.31 1si8 s ALA 112 Ca 0.34 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1si8 s ALA 112 Cb 0.10 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1si8 s ALA 112 CO -0.14 0.03 -0.13 -0.51 0.00 0.00 0.00 175.76 175.00 1si8 s LEU 113 N 0.55 1.78 -0.25 0.00 1.02 0.31 -1.17 118.68 120.92 1si8 s LEU 113 Ca 0.25 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1si8 s LEU 113 Cb -0.15 -0.82 0.05 0.00 0.02 0.00 0.00 46.19 45.30 1si8 s LEU 113 CO 0.10 0.09 -0.12 -0.75 0.02 0.00 0.00 176.35 175.69 1si8 s LYS 114 N 0.32 2.27 -0.25 1.70 2.20 0.07 -0.47 119.74 125.58 1si8 s LYS 114 Ca -0.08 -1.25 -0.15 0.00 -0.36 0.00 0.00 55.97 54.13 1si8 s LYS 114 Cb -0.13 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1si8 s LYS 114 CO 0.02 -0.53 0.38 -0.06 -0.36 0.00 0.00 175.35 174.81 1si8 s PHE 115 N 1.15 3.28 -1.22 4.03 0.40 0.12 -1.55 117.98 124.19 1si8 s PHE 115 Ca -0.07 0.46 -0.14 0.00 -0.60 0.00 0.00 56.93 56.58 1si8 s PHE 115 Cb -0.19 -2.56 0.15 0.00 0.51 0.00 0.00 43.02 40.93 1si8 s PHE 115 CO -0.06 -0.17 1.49 0.71 0.70 0.00 0.00 175.22 177.88 1si8 s TYR 116 N 1.88 3.38 0.70 0.36 2.02 -0.63 -0.62 117.35 124.44 1si8 s TYR 116 Ca 0.16 -2.05 -0.07 0.00 -0.37 0.00 0.00 57.07 54.74 1si8 s TYR 116 Cb -0.15 -4.39 0.06 0.00 -0.40 0.00 0.00 41.96 37.07 1si8 s TYR 116 CO 0.09 -1.47 1.01 0.95 -1.57 0.00 0.00 175.55 174.57 1si8 s THR 117 N 2.04 2.39 -1.35 -0.71 -4.23 -0.94 -4.41 115.64 108.42 1si8 s THR 117 Ca 0.45 -0.22 0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1si8 s THR 117 Cb -0.02 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 71.10 1si8 s THR 117 CO 0.01 -0.05 1.64 0.47 -0.54 0.00 0.00 174.62 176.16 1si8 n ASP 118 N -2.91 0.00 -0.77 3.99 8.00 -1.26 -2.65 116.55 120.95 1si8 n ASP 118 Ca 0.08 0.09 0.05 0.00 0.71 0.00 0.00 54.79 55.72 1si8 n ASP 118 Cb 0.60 -0.33 0.18 0.00 -0.02 0.00 0.00 41.12 41.55 1si8 n ASP 118 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1si8 n GLU 119 N -1.33 1.40 0.00 -1.24 1.02 -1.26 -4.70 120.64 114.53 1si8 n GLU 119 Ca 0.09 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 54.09 1si8 n GLU 119 Cb 0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1si8 n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1si8 n GLY 120 N -0.88 2.74 3.66 0.62 0.00 -1.09 -4.62 105.19 105.63 1si8 n GLY 120 Ca 0.18 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1si8 n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 121 N 0.00 7.11 -0.22 1.61 0.02 -1.26 -2.22 114.94 119.98 1si8 s ASN 121 Ca 0.00 1.39 -0.09 0.00 -1.02 0.00 0.00 52.86 53.15 1si8 s ASN 121 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1si8 s ASN 121 CO 0.00 -0.64 0.11 -0.47 0.02 0.00 0.00 177.10 176.12 1si8 s TYR 122 N 3.06 3.24 -0.14 2.20 6.04 0.21 -4.61 117.35 127.35 1si8 s TYR 122 Ca 0.44 0.03 -0.03 0.00 0.04 0.00 0.00 57.07 57.55 1si8 s TYR 122 Cb -0.15 -2.20 -0.03 0.00 -1.04 0.00 0.00 41.96 38.53 1si8 s TYR 122 CO 0.07 -0.01 -0.02 -0.51 -1.54 0.00 0.00 175.55 173.54 1si8 s ASP 123 N 0.99 4.94 -0.35 4.32 1.01 -0.89 0.11 116.67 126.79 1si8 s ASP 123 Ca 0.06 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.27 1si8 s ASP 123 Cb -0.14 -1.68 0.09 0.00 1.01 0.00 0.00 42.92 42.20 1si8 s ASP 123 CO 0.03 0.23 0.09 -0.22 0.21 0.00 0.00 175.17 175.51 1si8 s LEU 124 N 0.02 4.72 -0.87 1.23 1.98 0.38 -4.64 118.68 121.50 1si8 s LEU 124 Ca 0.01 -1.93 -0.12 0.00 -2.89 0.00 0.00 54.13 49.21 1si8 s LEU 124 Cb -0.13 -1.71 0.23 0.00 0.66 0.00 0.00 46.19 45.24 1si8 s LEU 124 CO 0.02 -0.41 0.81 -0.69 -1.89 0.00 0.00 176.35 174.19 1si8 s VAL 125 N 1.05 5.49 0.07 1.68 1.01 -1.26 -0.53 120.40 127.92 1si8 s VAL 125 Ca 0.06 -2.75 0.01 0.00 0.00 0.00 0.00 61.98 59.30 1si8 s VAL 125 Cb -0.21 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.80 1si8 s VAL 125 CO -0.05 -1.05 0.05 0.61 0.00 0.00 0.00 175.10 174.65 1si8 n GLY 126 N 3.62 3.19 3.48 4.51 0.00 -0.61 -4.95 105.19 114.44 1si8 n GLY 126 Ca 0.16 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 1si8 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 127 N -1.43 2.55 -0.05 1.61 0.01 -0.92 0.15 114.94 116.86 1si8 s ASN 127 Ca 0.04 -1.53 0.04 0.00 -0.71 0.00 0.00 52.86 50.70 1si8 s ASN 127 Cb -0.00 0.23 0.22 0.00 0.41 0.00 0.00 41.25 42.11 1si8 s ASN 127 CO 0.02 -0.78 0.91 -0.46 -1.51 0.00 0.00 177.10 175.28 1si8 n ASN 128 N -0.98 2.07 -3.99 -1.22 6.94 -0.03 -0.41 115.26 117.65 1si8 n ASN 128 Ca -0.04 -2.21 -0.15 0.00 -0.02 0.00 0.00 54.58 52.16 1si8 n ASN 128 Cb 0.66 -0.47 -0.13 0.00 -2.36 0.00 0.00 39.78 37.48 1si8 n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1si8 s THR 129 N -1.54 0.43 -0.95 5.53 -1.32 -1.26 -4.60 115.64 111.93 1si8 s THR 129 Ca 0.15 -0.48 0.23 0.00 -1.21 0.00 0.00 61.69 60.38 1si8 s THR 129 Cb 0.11 -0.42 0.20 0.00 -1.51 0.00 0.00 72.50 70.88 1si8 s THR 129 CO 0.05 -0.05 1.74 -0.81 -2.21 0.00 0.00 174.62 173.34 1si8 n PRO 130 N 2.49 0.03 -3.08 7.08 -0.04 -1.26 -4.58 135.00 135.64 1si8 n PRO 130 Ca -0.16 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1si8 n PRO 130 Cb 0.57 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1si8 n PRO 130 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1si8 n ILE 131 N -1.60 0.00 -4.17 0.52 -5.35 -1.26 -4.23 119.36 103.28 1si8 n ILE 131 Ca 0.05 -1.05 -0.12 0.00 -0.27 0.00 0.00 62.75 61.36 1si8 n ILE 131 Cb 0.28 0.35 -0.09 0.00 -1.74 0.00 0.00 39.64 38.44 1si8 n ILE 131 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1si8 s PHE 132 N -2.16 1.06 0.17 4.28 5.36 -0.64 -5.01 117.98 121.04 1si8 s PHE 132 Ca 0.08 -1.28 0.11 0.00 -0.96 0.00 0.00 56.93 54.87 1si8 s PHE 132 Cb 0.00 -0.43 0.19 0.00 -0.34 0.00 0.00 43.02 42.45 1si8 s PHE 132 CO 0.06 -0.73 1.51 0.74 -1.46 0.00 0.00 175.22 175.33 1si8 h PHE 133 N 2.51 0.00 -2.94 10.12 -1.00 -1.89 -3.40 116.94 120.34 1si8 h PHE 133 Ca -0.33 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.00 1si8 h PHE 133 Cb 1.25 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.67 1si8 h PHE 133 CO 0.48 0.70 -0.66 0.96 -1.61 0.00 0.00 178.31 178.18 1si8 s ILE 134 N -3.26 1.34 -0.04 -0.55 -4.36 -1.26 -3.16 121.20 109.92 1si8 s ILE 134 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1si8 s ILE 134 Cb 0.11 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1si8 s ILE 134 CO 0.77 -0.28 0.34 0.54 0.24 0.00 0.00 174.94 176.56 1si8 n ARG 135 N -0.53 1.68 -4.26 0.37 1.74 -1.26 -4.68 116.66 109.72 1si8 n ARG 135 Ca -0.05 -0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 56.45 1si8 n ARG 135 Cb 0.64 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 31.07 1si8 n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1si8 s ASP 136 N -0.37 1.62 0.60 0.55 -1.08 -1.26 -2.46 116.67 114.28 1si8 s ASP 136 Ca 0.00 -0.24 0.30 0.00 -0.52 0.00 0.00 52.55 52.09 1si8 s ASP 136 Cb 0.00 -0.70 1.69 0.00 -1.46 0.00 0.00 42.92 42.46 1si8 s ASP 136 CO 0.01 -0.04 2.10 0.00 0.52 0.00 0.00 175.17 177.75 1si8 h ALA 137 N 7.39 1.75 0.00 3.66 0.00 -1.81 -1.46 119.26 128.78 1si8 h ALA 137 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1si8 h ALA 137 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1si8 h ALA 137 CO 0.44 -0.30 0.00 0.97 0.00 0.00 0.00 179.25 180.37 1si8 h ILE 138 N 0.00 0.00 -0.01 0.00 2.10 -1.95 -1.58 117.51 116.07 1si8 h ILE 138 Ca 0.08 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1si8 h ILE 138 Cb 0.50 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1si8 h ILE 138 CO -0.00 0.00 -0.48 0.29 -1.08 0.00 0.00 178.15 176.88 1si8 n LYS 139 N -2.36 1.01 -0.01 2.19 4.76 -0.55 -4.54 118.16 118.67 1si8 n LYS 139 Ca -0.00 -0.80 -0.09 0.00 -2.87 0.00 0.00 58.31 54.55 1si8 n LYS 139 Cb 0.12 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 1si8 n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1si8 h PHE 140 N 1.94 -0.23 -0.67 2.13 3.57 -1.42 -0.19 116.94 122.08 1si8 h PHE 140 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1si8 h PHE 140 Cb 0.68 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1si8 h PHE 140 CO 0.00 -0.15 0.44 -1.35 -2.23 0.00 0.00 178.31 175.03 1si8 h PRO 141 N -0.10 0.70 -0.17 6.41 0.11 -1.80 0.51 132.00 137.66 1si8 h PRO 141 Ca 0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1si8 h PRO 141 Cb 0.22 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1si8 h PRO 141 CO -0.19 0.46 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.59 1si8 h ASP 142 N 0.72 0.32 0.15 -2.05 3.32 -1.67 -0.24 116.42 116.97 1si8 h ASP 142 Ca 0.28 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1si8 h ASP 142 Cb 0.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1si8 h ASP 142 CO -0.09 0.60 -0.07 0.15 -1.72 0.00 0.00 179.24 178.11 1si8 h PHE 143 N 0.03 -0.19 -0.77 4.55 -0.00 -0.45 -1.95 116.94 118.16 1si8 h PHE 143 Ca 0.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.98 1si8 h PHE 143 Cb 0.45 0.06 -0.04 0.00 -0.00 0.00 0.00 35.95 36.43 1si8 h PHE 143 CO 0.05 -0.10 0.36 0.82 -0.00 0.00 0.00 178.31 179.44 1si8 h ILE 144 N -0.22 1.24 -0.67 1.41 1.08 -0.92 -1.54 117.51 117.89 1si8 h ILE 144 Ca -0.02 -0.70 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1si8 h ILE 144 Cb 0.17 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 1si8 h ILE 144 CO 0.03 0.30 0.41 0.45 -0.69 0.00 0.00 178.15 178.65 1si8 h HIS 145 N 1.10 0.88 -0.06 1.37 3.86 -0.88 -0.84 115.15 120.58 1si8 h HIS 145 Ca 0.26 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1si8 h HIS 145 Cb 0.13 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1si8 h HIS 145 CO 0.01 0.59 -0.27 0.66 0.86 0.00 0.00 177.93 179.79 1si8 h SER 146 N 0.91 0.10 1.93 2.45 4.64 -0.85 -2.69 113.55 120.04 1si8 h SER 146 Ca 0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1si8 h SER 146 Cb -0.03 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1si8 h SER 146 CO -0.05 0.38 0.00 1.56 -0.87 0.00 0.00 176.83 177.85 1si8 h GLN 147 N 0.10 0.00 0.00 4.77 1.08 -0.56 -3.21 115.11 117.30 1si8 h GLN 147 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1si8 h GLN 147 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1si8 h GLN 147 CO 0.04 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.55 1si8 n LYS 148 N -3.07 3.48 -2.71 1.46 5.02 -0.39 -4.90 118.16 117.05 1si8 n LYS 148 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1si8 n LYS 148 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 1si8 n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1si8 s ARG 149 N 3.25 4.11 0.14 1.97 0.52 -1.26 -4.15 118.95 123.52 1si8 s ARG 149 Ca 0.00 1.15 -0.31 0.00 -0.52 0.00 0.00 55.73 56.05 1si8 s ARG 149 Cb 0.00 -2.16 -0.10 0.00 0.52 0.00 0.00 34.95 33.21 1si8 s ARG 149 CO 0.00 -0.14 1.70 1.21 0.02 0.00 0.00 175.30 178.09 1si8 s ASN 150 N -2.24 6.49 0.63 0.23 2.47 0.83 -4.86 114.94 118.49 1si8 s ASN 150 Ca 0.63 2.69 0.40 0.00 0.42 0.00 0.00 52.86 57.00 1si8 s ASN 150 Cb -0.11 -2.58 2.12 0.00 -1.45 0.00 0.00 41.25 39.24 1si8 s ASN 150 CO 0.16 -0.93 2.27 1.55 -3.72 0.00 0.00 177.10 176.44 1si8 h PRO 151 N 7.67 0.00 0.01 0.43 0.13 -1.94 0.18 132.00 138.48 1si8 h PRO 151 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 1si8 h PRO 151 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1si8 h PRO 151 CO 0.94 0.01 -1.65 -2.13 -0.23 0.00 0.00 178.00 174.94 1si8 n ARG 152 N -3.19 0.58 0.02 0.86 0.63 -1.26 -4.64 116.66 109.67 1si8 n ARG 152 Ca -0.02 0.47 0.11 0.00 -0.92 0.00 0.00 57.85 57.49 1si8 n ARG 152 Cb 0.13 -1.68 -0.10 0.00 0.45 0.00 0.00 32.46 31.26 1si8 n ARG 152 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1si8 n THR 153 N -4.31 0.17 -1.06 5.15 -2.24 -1.21 -4.98 114.28 105.80 1si8 n THR 153 Ca -0.38 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1si8 n THR 153 Cb 0.76 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1si8 n THR 153 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1si8 n HIS 154 N -2.27 0.00 -3.81 4.78 -0.00 0.63 -4.95 115.22 109.59 1si8 n HIS 154 Ca -0.02 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.90 1si8 n HIS 154 Cb 0.53 -0.91 -0.03 0.00 -0.12 0.00 0.00 29.99 29.46 1si8 n HIS 154 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1si8 s LEU 155 N -0.48 4.28 0.60 0.27 1.43 -1.26 -4.60 118.68 118.93 1si8 s LEU 155 Ca 0.00 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 1si8 s LEU 155 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1si8 s LEU 155 CO 0.00 -0.00 1.16 -0.54 0.23 0.00 0.00 176.35 177.20 1si8 s LYS 156 N -3.31 2.97 -0.34 1.70 -0.14 -1.26 -0.12 119.74 119.24 1si8 s LYS 156 Ca 0.37 1.66 0.01 0.00 -1.36 0.00 0.00 55.97 56.64 1si8 s LYS 156 Cb -0.11 -1.95 0.11 0.00 -1.68 0.00 0.00 37.83 34.20 1si8 s LYS 156 CO 0.29 -1.17 0.11 0.45 -0.76 0.00 0.00 175.35 174.27 1si8 s SER 157 N -1.90 4.13 0.54 2.83 0.15 -1.26 -4.81 113.70 113.39 1si8 s SER 157 Ca 0.73 -1.89 0.29 0.00 0.70 0.00 0.00 55.95 55.78 1si8 s SER 157 Cb -0.26 -1.05 1.53 0.00 -1.71 0.00 0.00 66.02 64.53 1si8 s SER 157 CO 0.34 -0.39 2.10 1.55 1.20 0.00 0.00 173.24 178.04 1si8 h PRO 158 N 7.80 0.00 -0.67 5.44 0.13 -1.91 -1.50 132.00 141.28 1si8 h PRO 158 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1si8 h PRO 158 Cb 1.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 1si8 h PRO 158 CO 0.48 0.10 0.35 1.49 -0.23 0.00 0.00 178.00 180.19 1si8 h GLU 159 N 0.00 0.95 -0.21 0.86 4.81 -1.92 -0.82 114.58 118.24 1si8 h GLU 159 Ca -0.00 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1si8 h GLU 159 Cb 0.29 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1si8 h GLU 159 CO 0.01 0.73 -0.38 0.00 -0.73 0.00 0.00 179.01 178.65 1si8 h ALA 160 N 1.17 0.33 -0.08 2.92 0.00 -1.62 0.31 119.26 122.29 1si8 h ALA 160 Ca 0.23 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1si8 h ALA 160 Cb 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1si8 h ALA 160 CO -0.03 0.42 -0.18 0.28 0.00 0.00 0.00 179.25 179.73 1si8 h VAL 161 N 0.33 0.54 0.00 0.00 2.07 -1.02 -1.79 116.25 116.38 1si8 h VAL 161 Ca 0.01 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1si8 h VAL 161 Cb 0.97 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1si8 h VAL 161 CO 0.09 0.00 -0.77 -0.50 0.02 0.00 0.00 177.57 176.40 1si8 h TRP 162 N -0.26 0.00 -0.02 1.57 4.06 -1.19 -2.40 115.95 117.72 1si8 h TRP 162 Ca 0.08 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1si8 h TRP 162 Cb 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1si8 h TRP 162 CO -0.27 0.77 0.01 0.22 -3.56 0.00 0.00 178.44 175.61 1si8 h ASP 163 N 0.00 0.02 -0.44 -3.49 3.58 -0.75 0.24 116.42 115.58 1si8 h ASP 163 Ca -0.01 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1si8 h ASP 163 Cb 1.52 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.55 1si8 h ASP 163 CO 0.10 0.05 0.27 0.15 -2.88 0.00 0.00 179.24 176.93 1si8 h PHE 164 N -0.02 0.57 -0.24 0.28 3.57 -1.32 -2.72 116.94 117.06 1si8 h PHE 164 Ca 0.01 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1si8 h PHE 164 Cb 0.04 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1si8 h PHE 164 CO -0.06 0.39 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.60 1si8 h TRP 165 N 0.58 0.58 0.00 0.41 6.55 -1.23 -2.44 115.95 120.40 1si8 h TRP 165 Ca 0.16 -0.14 -0.02 0.00 0.95 0.00 0.00 58.89 59.84 1si8 h TRP 165 Cb -0.02 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1si8 h TRP 165 CO -0.03 0.77 -0.08 0.66 -1.05 0.00 0.00 178.44 178.70 1si8 h SER 166 N 0.44 0.00 -0.20 -3.49 4.64 -0.25 -0.84 113.55 113.84 1si8 h SER 166 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1si8 h SER 166 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1si8 h SER 166 CO 0.06 0.08 0.00 1.41 -0.87 0.00 0.00 176.83 177.51 1si8 n HIS 167 N -3.45 0.24 -3.32 4.77 8.25 -1.05 -4.61 115.22 116.05 1si8 n HIS 167 Ca -0.02 -0.13 -0.25 0.00 -0.26 0.00 0.00 57.72 57.06 1si8 n HIS 167 Cb 0.22 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 1si8 n HIS 167 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1si8 n SER 168 N 1.37 1.43 0.33 0.41 7.64 -0.32 -4.97 113.62 119.52 1si8 n SER 168 Ca 0.16 -2.93 0.16 0.00 1.01 0.00 0.00 58.87 57.26 1si8 n SER 168 Cb 0.58 -0.65 0.83 0.00 -1.01 0.00 0.00 64.21 63.97 1si8 n SER 168 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1si8 h PRO 169 N 4.27 0.00 0.00 1.43 0.13 -1.82 -0.80 132.00 135.21 1si8 h PRO 169 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1si8 h PRO 169 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1si8 h PRO 169 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1si8 n GLU 170 N -2.91 0.07 0.02 0.86 0.00 -1.26 -2.14 120.64 115.28 1si8 n GLU 170 Ca -0.02 0.39 0.13 0.00 0.00 0.00 0.00 57.16 57.66 1si8 n GLU 170 Cb 0.37 -1.65 0.40 0.00 0.00 0.00 0.00 31.44 30.56 1si8 n GLU 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1si8 n SER 171 N -1.79 0.37 -0.25 -1.84 3.41 -0.31 -4.28 113.62 108.93 1si8 n SER 171 Ca 0.02 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 1si8 n SER 171 Cb 0.14 -0.19 0.19 0.00 -0.26 0.00 0.00 64.21 64.09 1si8 n SER 171 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1si8 h LEU 172 N 0.00 0.13 0.15 1.04 3.38 -1.64 0.13 115.31 118.50 1si8 h LEU 172 Ca 0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1si8 h LEU 172 Cb 0.56 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1si8 h LEU 172 CO 0.00 0.02 -0.11 -0.74 0.09 0.00 0.00 178.44 177.70 1si8 h HIS 173 N 0.34 -0.28 -0.01 1.13 2.76 -1.79 -1.04 115.15 116.26 1si8 h HIS 173 Ca 0.42 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.47 1si8 h HIS 173 Cb 0.69 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1si8 h HIS 173 CO -0.22 -0.17 -0.55 0.37 -1.30 0.00 0.00 177.93 176.06 1si8 h GLN 174 N -0.26 0.02 -0.62 5.26 5.75 -1.68 -2.58 115.11 121.00 1si8 h GLN 174 Ca -0.01 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1si8 h GLN 174 Cb 0.23 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1si8 h GLN 174 CO 0.00 0.56 0.11 0.28 -2.65 0.00 0.00 178.83 177.14 1si8 h VAL 175 N 0.01 1.25 -0.75 2.39 2.07 -0.51 0.16 116.25 120.86 1si8 h VAL 175 Ca -0.00 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1si8 h VAL 175 Cb 0.98 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1si8 h VAL 175 CO 0.07 0.36 0.27 0.74 0.02 0.00 0.00 177.57 179.03 1si8 h THR 176 N 0.94 1.26 -0.36 2.57 2.02 -0.86 -0.36 112.91 118.12 1si8 h THR 176 Ca 0.19 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 1si8 h THR 176 Cb 0.39 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1si8 h THR 176 CO 0.01 0.34 -0.28 0.40 0.37 0.00 0.00 175.52 176.36 1si8 h ILE 177 N 1.11 1.28 -0.67 3.11 2.04 -1.05 -2.30 117.51 121.04 1si8 h ILE 177 Ca 0.25 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1si8 h ILE 177 Cb 0.26 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1si8 h ILE 177 CO -0.01 0.47 0.44 0.25 0.00 0.00 0.00 178.15 179.30 1si8 h LEU 178 N 0.62 0.75 -0.08 1.44 6.46 -0.33 -2.60 115.31 121.56 1si8 h LEU 178 Ca 0.07 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1si8 h LEU 178 Cb 0.85 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1si8 h LEU 178 CO 0.07 0.54 -0.08 0.23 -0.62 0.00 0.00 178.44 178.58 1si8 n MET 179 N -4.63 0.41 -0.85 1.25 2.81 -0.18 -3.76 117.12 112.17 1si8 n MET 179 Ca 0.06 -0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.71 1si8 n MET 179 Cb 0.03 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.15 1si8 n MET 179 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1si8 n SER 180 N -1.22 -0.40 0.02 7.83 3.41 -0.87 -4.03 113.62 118.36 1si8 n SER 180 Ca 0.12 -1.13 -0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1si8 n SER 180 Cb 0.28 -0.52 0.29 0.00 -0.26 0.00 0.00 64.21 64.01 1si8 n SER 180 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1si8 h ASP 181 N -1.17 0.46 0.12 4.04 3.32 -1.86 -2.48 116.42 118.85 1si8 h ASP 181 Ca -0.22 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1si8 h ASP 181 Cb 0.61 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1si8 h ASP 181 CO 0.15 0.57 0.00 0.54 -1.72 0.00 0.00 179.24 178.78 1si8 n ARG 182 N -4.25 0.12 0.28 3.56 1.74 -1.26 -2.49 116.66 114.35 1si8 n ARG 182 Ca 0.01 0.20 0.19 0.00 -0.77 0.00 0.00 57.85 57.47 1si8 n ARG 182 Cb 0.27 -1.50 0.90 0.00 -1.02 0.00 0.00 32.46 31.12 1si8 n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1si8 h GLY 183 N 1.20 0.00 -6.68 -0.13 0.00 -1.53 -3.35 103.07 92.58 1si8 h GLY 183 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1si8 h GLY 183 CO 0.00 0.00 -0.80 -0.42 0.00 0.00 0.00 176.54 175.32 1si8 s ILE 184 N -3.84 -0.01 0.70 2.60 1.01 -1.04 -2.38 121.20 118.24 1si8 s ILE 184 Ca -0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 1si8 s ILE 184 Cb 0.10 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1si8 s ILE 184 CO 0.43 -0.82 1.14 -2.84 0.00 0.00 0.00 174.94 172.85 1si8 s PRO 185 N 1.69 2.45 0.20 2.79 0.02 -1.26 -0.90 135.00 139.99 1si8 s PRO 185 Ca 0.13 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 1si8 s PRO 185 Cb -0.19 -1.90 0.13 0.00 0.02 0.00 0.00 34.50 32.57 1si8 s PRO 185 CO -0.21 -1.54 1.58 1.25 -0.33 0.00 0.00 177.00 177.75 1si8 h LEU 186 N -0.26 0.81 -7.68 -5.54 5.85 -1.08 -3.39 115.31 104.01 1si8 h LEU 186 Ca -0.47 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.04 1si8 h LEU 186 Cb 1.26 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 1si8 h LEU 186 CO 0.52 1.05 0.36 -0.94 -0.34 0.00 0.00 178.44 179.09 1si8 s SER 187 N -6.79 -0.26 0.55 1.25 1.04 -1.26 -4.89 113.70 103.34 1si8 s SER 187 Ca -0.09 -0.42 0.28 0.00 0.48 0.00 0.00 55.95 56.20 1si8 s SER 187 Cb 0.12 0.59 1.61 0.00 0.10 0.00 0.00 66.02 68.44 1si8 s SER 187 CO 0.85 -1.06 2.15 -0.26 0.98 0.00 0.00 173.24 175.90 1si8 h PHE 188 N 2.00 0.00 0.00 5.02 0.05 -1.90 -1.00 116.94 121.10 1si8 h PHE 188 Ca -0.23 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.56 1si8 h PHE 188 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.20 1si8 h PHE 188 CO 0.38 0.07 0.00 0.54 -0.18 0.00 0.00 178.31 179.12 1si8 n ARG 189 N -3.74 0.15 -1.32 1.51 1.74 -1.26 -3.69 116.66 110.05 1si8 n ARG 189 Ca -0.02 0.18 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 1si8 n ARG 189 Cb 0.17 -1.69 0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1si8 n ARG 189 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1si8 n HIS 190 N -1.96 2.08 -4.12 -1.55 8.25 -0.38 -4.40 115.22 113.15 1si8 n HIS 190 Ca 0.05 -2.10 -0.08 0.00 -0.26 0.00 0.00 57.72 55.33 1si8 n HIS 190 Cb 0.35 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1si8 n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1si8 s MET 191 N -3.48 0.69 0.66 -0.41 0.23 -1.24 -2.59 119.30 113.16 1si8 s MET 191 Ca 0.51 -1.26 -0.02 0.00 -1.03 0.00 0.00 55.69 53.89 1si8 s MET 191 Cb 0.43 0.07 0.08 0.00 -1.53 0.00 0.00 34.83 33.88 1si8 s MET 191 CO 0.01 -0.08 0.93 -1.01 -2.03 0.00 0.00 175.02 172.83 1si8 s HIS 192 N -3.82 2.37 0.03 3.16 3.76 -1.26 -4.21 115.29 115.31 1si8 s HIS 192 Ca 0.09 0.00 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1si8 s HIS 192 Cb 0.07 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.75 1si8 s HIS 192 CO -0.08 -1.36 -0.13 0.20 -0.85 0.00 0.00 174.74 172.52 1si8 s GLY 193 N -4.57 0.73 0.03 -2.22 0.00 0.65 -4.09 107.32 97.84 1si8 s GLY 193 Ca 0.62 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 1si8 s GLY 193 CO 0.42 -0.74 0.08 -1.36 0.00 0.00 0.00 173.10 171.50 1si8 s PHE 194 N -0.80 0.18 -0.46 1.90 0.40 0.46 0.38 117.98 120.04 1si8 s PHE 194 Ca 0.01 -0.44 0.24 0.00 -0.60 0.00 0.00 56.93 56.14 1si8 s PHE 194 Cb -0.07 -0.14 0.35 0.00 0.51 0.00 0.00 43.02 43.67 1si8 s PHE 194 CO 0.01 -0.32 1.50 0.78 0.70 0.00 0.00 175.22 177.89 1si8 h GLY 195 N 3.97 0.00 0.00 4.36 0.00 -1.78 -2.43 103.07 107.18 1si8 h GLY 195 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1si8 h GLY 195 CO 0.47 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.45 1si8 n SER 196 N -2.79 0.00 -4.77 0.19 7.64 -1.26 -4.78 113.62 107.86 1si8 n SER 196 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 1si8 n SER 196 Cb 0.51 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.79 1si8 n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1si8 s HIS 197 N 0.00 2.58 -0.06 1.43 3.76 -1.26 -4.80 115.29 116.94 1si8 s HIS 197 Ca 0.00 1.56 -0.26 0.00 -0.15 0.00 0.00 55.06 56.21 1si8 s HIS 197 Cb 0.00 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 1si8 s HIS 197 CO 0.00 -1.78 0.79 0.99 -0.85 0.00 0.00 174.74 173.90 1si8 s THR 198 N -2.69 4.98 0.53 1.30 2.01 -1.26 -4.64 115.64 115.87 1si8 s THR 198 Ca 0.63 1.64 0.04 0.00 0.31 0.00 0.00 61.69 64.32 1si8 s THR 198 Cb -0.18 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1si8 s THR 198 CO 0.51 0.20 0.31 -0.36 -0.69 0.00 0.00 174.62 174.59 1si8 s PHE 199 N 0.98 1.70 -0.07 4.92 0.40 0.26 -4.22 117.98 121.94 1si8 s PHE 199 Ca 0.42 -0.86 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1si8 s PHE 199 Cb -0.19 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1si8 s PHE 199 CO 0.20 -0.30 -0.19 0.15 0.70 0.00 0.00 175.22 175.78 1si8 s LYS 200 N -4.18 2.76 -0.04 0.44 1.02 0.18 -0.53 119.74 119.38 1si8 s LYS 200 Ca 0.27 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.52 1si8 s LYS 200 Cb -0.01 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1si8 s LYS 200 CO 0.17 0.39 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.21 1si8 s TRP 201 N -0.16 2.52 -0.05 3.18 0.52 0.99 -0.06 118.94 125.88 1si8 s TRP 201 Ca -0.02 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.75 1si8 s TRP 201 Cb -0.14 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1si8 s TRP 201 CO 0.04 0.04 -0.03 0.08 0.02 0.00 0.00 176.95 177.09 1si8 s VAL 202 N -0.59 0.46 0.81 4.03 1.01 -0.45 -0.52 120.40 125.15 1si8 s VAL 202 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1si8 s VAL 202 Cb -0.11 -0.52 0.17 0.00 0.00 0.00 0.00 36.38 35.92 1si8 s VAL 202 CO 0.00 0.22 1.11 -0.46 0.00 0.00 0.00 175.10 175.97 1si8 n ASN 203 N 4.29 1.09 0.20 3.32 0.23 -0.80 -1.39 115.26 122.19 1si8 n ASN 203 Ca -0.21 -2.01 0.11 0.00 -0.53 0.00 0.00 54.58 51.93 1si8 n ASN 203 Cb 0.51 -0.75 0.65 0.00 -2.08 0.00 0.00 39.78 38.11 1si8 n ASN 203 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1si8 h ALA 204 N -0.89 2.10 -0.00 -2.53 0.00 -1.88 -0.41 119.26 115.66 1si8 h ALA 204 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1si8 h ALA 204 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1si8 h ALA 204 CO 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 1si8 n ALA 205 N -2.56 2.62 -0.57 0.00 0.00 -1.26 -4.89 120.51 113.86 1si8 n ALA 205 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1si8 n ALA 205 Cb 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1si8 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 206 N 1.26 0.71 3.75 0.00 0.00 -0.16 -5.04 105.19 105.71 1si8 n GLY 206 Ca 0.15 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1si8 n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1si8 s GLU 207 N -0.48 4.67 -0.08 1.61 2.02 -1.26 -4.81 118.70 120.36 1si8 s GLU 207 Ca 0.00 1.68 -0.02 0.00 0.02 0.00 0.00 54.97 56.65 1si8 s GLU 207 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 1si8 s GLU 207 CO 0.00 0.21 0.01 0.08 0.02 0.00 0.00 175.26 175.58 1si8 s VAL 208 N -0.69 4.38 0.00 2.63 1.01 -1.26 -1.90 120.40 124.57 1si8 s VAL 208 Ca 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1si8 s VAL 208 Cb -0.29 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1si8 s VAL 208 CO 0.36 0.60 -0.03 -0.36 0.00 0.00 0.00 175.10 175.67 1si8 s PHE 209 N -0.90 0.25 -0.17 5.22 0.40 0.32 -1.95 117.98 121.15 1si8 s PHE 209 Ca 0.14 -0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 1si8 s PHE 209 Cb -0.11 -0.16 -0.05 0.00 0.51 0.00 0.00 43.02 43.21 1si8 s PHE 209 CO 0.03 -0.02 0.17 -0.06 0.70 0.00 0.00 175.22 176.04 1si8 s PHE 210 N -0.24 3.47 0.20 0.36 0.40 0.14 -0.00 117.98 122.30 1si8 s PHE 210 Ca -0.01 0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1si8 s PHE 210 Cb -0.02 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1si8 s PHE 210 CO -0.00 0.38 -0.08 0.14 0.70 0.00 0.00 175.22 176.35 1si8 s VAL 211 N 0.07 1.37 -0.06 -0.44 -7.23 0.30 -0.14 120.40 114.27 1si8 s VAL 211 Ca 0.12 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1si8 s VAL 211 Cb -0.12 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.72 1si8 s VAL 211 CO 0.01 -0.53 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.63 1si8 s LYS 212 N -3.74 1.43 -0.01 4.82 1.02 -0.87 -0.58 119.74 121.80 1si8 s LYS 212 Ca 0.23 -0.31 -0.18 0.00 0.02 0.00 0.00 55.97 55.74 1si8 s LYS 212 Cb 0.03 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.02 1si8 s LYS 212 CO 0.06 -0.04 0.50 0.71 -0.92 0.00 0.00 175.35 175.66 1si8 s TYR 213 N 0.85 3.69 -0.18 3.18 1.51 -1.26 -1.70 117.35 123.44 1si8 s TYR 213 Ca -0.11 1.08 -0.02 0.00 -1.01 0.00 0.00 57.07 57.00 1si8 s TYR 213 Cb -0.15 -2.47 0.05 0.00 -0.11 0.00 0.00 41.96 39.28 1si8 s TYR 213 CO 0.01 0.46 0.00 -1.01 -1.11 0.00 0.00 175.55 173.91 1si8 s HIS 214 N -0.49 1.25 -0.45 2.71 3.76 -0.50 -2.54 115.29 119.02 1si8 s HIS 214 Ca 0.27 -0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 54.16 1si8 s HIS 214 Cb -0.17 -1.11 0.08 0.00 1.11 0.00 0.00 32.58 32.49 1si8 s HIS 214 CO 0.15 -0.59 0.34 -0.06 -0.85 0.00 0.00 174.74 173.73 1si8 s PHE 215 N 1.78 3.29 -0.22 1.40 0.40 0.16 -1.44 117.98 123.36 1si8 s PHE 215 Ca -0.00 -1.23 -0.16 0.00 -0.60 0.00 0.00 56.93 54.93 1si8 s PHE 215 Cb -0.16 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1si8 s PHE 215 CO -0.07 -0.84 0.43 0.15 0.70 0.00 0.00 175.22 175.59 1si8 s LYS 216 N 1.54 4.15 0.14 0.44 1.02 -0.23 -0.25 119.74 126.55 1si8 s LYS 216 Ca 0.04 0.23 -0.31 0.00 0.02 0.00 0.00 55.97 55.95 1si8 s LYS 216 Cb -0.24 -3.57 -0.10 0.00 -0.52 0.00 0.00 37.83 33.40 1si8 s LYS 216 CO 0.04 -0.12 1.67 -0.08 -0.92 0.00 0.00 175.35 175.94 1si8 s THR 217 N 1.57 2.63 -1.67 2.17 -1.32 -1.26 -0.69 115.64 117.07 1si8 s THR 217 Ca 0.20 0.32 0.31 0.00 -1.21 0.00 0.00 61.69 61.30 1si8 s THR 217 Cb -0.15 -3.20 0.64 0.00 -1.51 0.00 0.00 72.50 68.27 1si8 s THR 217 CO 0.09 0.01 2.07 0.59 -2.21 0.00 0.00 174.62 175.17 1si8 n ASN 218 N 4.77 0.12 0.00 8.08 3.02 -0.41 -2.75 115.26 128.09 1si8 n ASN 218 Ca 0.15 -0.52 0.11 0.00 -0.03 0.00 0.00 54.58 54.29 1si8 n ASN 218 Cb 0.38 -0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1si8 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 219 N -1.10 0.07 0.00 3.52 3.00 -1.26 -4.98 117.38 116.63 1si8 n GLN 219 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1si8 n GLN 219 Cb 0.21 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.93 1si8 n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1si8 n GLY 220 N 1.47 -0.34 3.69 1.08 0.00 -1.11 -4.94 105.19 105.04 1si8 n GLY 220 Ca 0.04 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1si8 n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 221 N -3.02 4.65 -0.03 -0.61 -1.09 -1.26 -4.41 121.20 115.42 1si8 s ILE 221 Ca 0.00 1.92 -0.03 0.00 -2.23 0.00 0.00 60.65 60.32 1si8 s ILE 221 Cb 0.00 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1si8 s ILE 221 CO 0.00 0.03 0.08 -0.54 -1.23 0.00 0.00 174.94 173.28 1si8 s LYS 222 N 1.89 0.09 0.35 2.79 1.02 -1.07 -5.05 119.74 119.76 1si8 s LYS 222 Ca 0.51 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.66 1si8 s LYS 222 Cb -0.20 0.04 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 1si8 s LYS 222 CO 0.21 -0.02 0.07 -0.80 -0.92 0.00 0.00 175.35 173.88 1si8 s ASN 223 N 0.08 2.55 -0.12 2.83 0.01 -1.26 -0.58 114.94 118.46 1si8 s ASN 223 Ca -0.00 -1.44 -0.02 0.00 -0.71 0.00 0.00 52.86 50.69 1si8 s ASN 223 Cb -0.01 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.65 1si8 s ASN 223 CO -0.00 -0.67 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.10 1si8 s LEU 224 N -3.53 3.14 0.57 0.60 1.43 -0.08 -4.55 118.68 116.25 1si8 s LEU 224 Ca 0.33 -0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 1si8 s LEU 224 Cb 0.08 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 1si8 s LEU 224 CO 0.15 0.24 1.19 -0.70 0.23 0.00 0.00 176.35 177.46 1si8 s GLU 225 N -0.06 3.15 0.22 1.70 2.56 -1.26 -4.76 118.70 120.25 1si8 s GLU 225 Ca 0.01 1.78 -0.09 0.00 0.00 0.00 0.00 54.97 56.67 1si8 s GLU 225 Cb -0.13 -2.00 0.36 0.00 2.00 0.00 0.00 34.13 34.35 1si8 s GLU 225 CO 0.03 -1.05 1.67 0.77 -0.56 0.00 0.00 175.26 176.12 1si8 h SER 226 N 1.09 -0.16 0.12 -1.70 0.02 -1.97 -1.85 113.55 109.10 1si8 h SER 226 Ca -0.50 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1si8 h SER 226 Cb 1.28 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1si8 h SER 226 CO 0.56 -0.08 -0.13 -0.61 -1.14 0.00 0.00 176.83 175.43 1si8 h GLN 227 N 0.18 -0.27 -0.73 3.45 4.15 -2.00 -2.05 115.11 117.84 1si8 h GLN 227 Ca 0.36 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.82 1si8 h GLN 227 Cb 0.59 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 1si8 h GLN 227 CO -0.52 -0.18 0.46 1.25 -1.93 0.00 0.00 178.83 177.91 1si8 h LEU 228 N -0.28 0.77 -0.85 -2.39 6.46 -1.85 -1.73 115.31 115.43 1si8 h LEU 228 Ca 0.01 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1si8 h LEU 228 Cb 0.28 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 1si8 h LEU 228 CO -0.05 0.53 0.53 0.00 -0.62 0.00 0.00 178.44 178.84 1si8 h ALA 229 N 1.30 1.17 -0.64 1.25 0.00 -1.08 0.25 119.26 121.51 1si8 h ALA 229 Ca 0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1si8 h ALA 229 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1si8 h ALA 229 CO -0.10 0.27 0.06 1.49 0.00 0.00 0.00 179.25 180.98 1si8 h GLU 230 N 0.96 1.09 -0.06 0.00 4.81 -0.80 0.07 114.58 120.65 1si8 h GLU 230 Ca 0.37 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1si8 h GLU 230 Cb 0.17 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1si8 h GLU 230 CO -0.17 1.02 0.03 1.49 -0.73 0.00 0.00 179.01 180.64 1si8 h GLU 231 N 1.01 0.09 -0.02 1.92 4.81 -0.33 -2.58 114.58 119.48 1si8 h GLU 231 Ca 0.19 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1si8 h GLU 231 Cb 0.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1si8 h GLU 231 CO 0.02 0.19 -0.18 0.82 -0.73 0.00 0.00 179.01 179.12 1si8 h ILE 232 N -0.03 1.14 0.00 2.32 2.04 -0.38 -0.49 117.51 122.12 1si8 h ILE 232 Ca 0.02 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1si8 h ILE 232 Cb 0.13 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1si8 h ILE 232 CO -0.00 0.20 -0.02 0.00 0.00 0.00 0.00 178.15 178.32 1si8 h ALA 233 N 1.78 1.71 0.02 1.87 0.00 -0.57 0.36 119.26 124.43 1si8 h ALA 233 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1si8 h ALA 233 Cb 0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1si8 h ALA 233 CO 0.02 0.03 -1.80 0.41 0.00 0.00 0.00 179.25 177.91 1si8 n GLY 234 N -1.35 -0.66 0.24 0.00 0.00 -0.58 -3.96 105.19 98.89 1si8 n GLY 234 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1si8 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1si8 h LYS 235 N -0.78 0.48 -1.48 1.61 1.57 -0.96 -3.40 116.57 113.60 1si8 h LYS 235 Ca -0.48 -0.16 -0.23 0.00 -1.87 0.00 0.00 60.65 57.91 1si8 h LYS 235 Cb 1.53 -0.04 -0.25 0.00 0.08 0.00 0.00 32.23 33.56 1si8 h LYS 235 CO -0.22 0.66 -0.59 1.21 -0.57 0.00 0.00 179.45 179.94 1si8 s ASN 236 N -6.80 -0.23 0.25 0.86 2.47 0.12 -5.01 114.94 106.60 1si8 s ASN 236 Ca -0.07 -1.41 0.19 0.00 0.42 0.00 0.00 52.86 51.99 1si8 s ASN 236 Cb 0.14 1.23 0.95 0.00 -1.45 0.00 0.00 41.25 42.12 1si8 s ASN 236 CO 0.78 -0.19 1.57 -0.81 -3.72 0.00 0.00 177.10 174.74 1si8 n PRO 237 N 4.02 0.13 -0.82 0.43 -0.04 -1.25 -1.98 135.00 135.48 1si8 n PRO 237 Ca 0.13 0.57 -0.05 0.00 -0.04 0.00 0.00 63.50 64.11 1si8 n PRO 237 Cb 0.51 -1.86 0.20 0.00 -0.04 0.00 0.00 33.50 32.31 1si8 n PRO 237 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1si8 n ASP 238 N -2.12 2.62 -0.21 3.54 8.00 -1.26 -0.44 116.55 126.68 1si8 n ASP 238 Ca -0.00 -3.74 0.01 0.00 0.71 0.00 0.00 54.79 51.77 1si8 n ASP 238 Cb 0.07 -0.65 0.11 0.00 -0.02 0.00 0.00 41.12 40.63 1si8 n ASP 238 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1si8 h PHE 239 N 1.04 0.01 -0.13 1.24 3.04 -1.74 0.23 116.94 120.63 1si8 h PHE 239 Ca 0.24 0.04 -0.19 0.00 3.98 0.00 0.00 57.97 62.05 1si8 h PHE 239 Cb 1.73 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 40.34 1si8 h PHE 239 CO 1.05 -0.15 -0.69 0.45 -2.02 0.00 0.00 178.31 176.96 1si8 h HIS 240 N 0.14 0.74 -0.29 0.41 3.86 -1.87 -1.57 115.15 116.56 1si8 h HIS 240 Ca 0.33 -0.31 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1si8 h HIS 240 Cb 0.53 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1si8 h HIS 240 CO -0.35 1.08 0.01 0.82 0.86 0.00 0.00 177.93 180.36 1si8 h ILE 241 N 0.40 1.25 -0.49 2.45 2.04 -1.79 -2.26 117.51 119.11 1si8 h ILE 241 Ca -0.02 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1si8 h ILE 241 Cb 1.27 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1si8 h ILE 241 CO 0.13 0.29 0.25 -0.08 0.00 0.00 0.00 178.15 178.74 1si8 h GLU 242 N 0.31 0.69 -0.50 2.37 4.81 -0.97 -2.32 114.58 118.97 1si8 h GLU 242 Ca 0.09 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1si8 h GLU 242 Cb 0.41 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1si8 h GLU 242 CO 0.01 0.55 0.24 0.22 -0.73 0.00 0.00 179.01 179.31 1si8 h ASP 243 N 0.64 0.34 -0.44 1.04 1.82 -1.13 0.55 116.42 119.23 1si8 h ASP 243 Ca 0.17 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1si8 h ASP 243 Cb 0.08 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1si8 h ASP 243 CO -0.02 0.23 0.17 0.25 -1.61 0.00 0.00 179.24 178.26 1si8 h LEU 244 N 0.47 0.61 -0.11 2.28 6.46 -1.25 -1.37 115.31 122.41 1si8 h LEU 244 Ca 0.22 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1si8 h LEU 244 Cb 0.14 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1si8 h LEU 244 CO -0.16 0.62 0.04 -0.74 -0.62 0.00 0.00 178.44 177.57 1si8 h HIS 245 N 0.57 0.17 -0.73 1.25 2.76 -0.96 -2.53 115.15 115.68 1si8 h HIS 245 Ca 0.15 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1si8 h HIS 245 Cb 0.20 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1si8 h HIS 245 CO 0.00 0.29 0.42 -0.91 -1.30 0.00 0.00 177.93 176.43 1si8 h ASN 246 N 0.00 0.89 -0.54 3.26 2.35 -0.84 -0.70 115.58 120.01 1si8 h ASN 246 Ca 0.04 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1si8 h ASN 246 Cb 0.19 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1si8 h ASN 246 CO -0.00 0.71 0.32 0.00 -1.65 0.00 0.00 177.43 176.81 1si8 h ALA 247 N 1.22 0.70 -0.17 -0.83 0.00 -1.17 0.10 119.26 119.11 1si8 h ALA 247 Ca 0.26 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1si8 h ALA 247 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1si8 h ALA 247 CO -0.05 0.03 -0.58 0.82 0.00 0.00 0.00 179.25 179.47 1si8 h ILE 248 N 0.63 1.33 -0.01 0.00 2.04 -1.20 0.29 117.51 120.59 1si8 h ILE 248 Ca 0.22 -1.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.15 1si8 h ILE 248 Cb 0.04 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1si8 h ILE 248 CO -0.11 0.57 -0.44 -0.08 0.00 0.00 0.00 178.15 178.10 1si8 h GLU 249 N 0.42 0.01 -0.14 2.37 4.57 -0.74 -1.97 114.58 119.11 1si8 h GLU 249 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1si8 h GLU 249 Cb 1.13 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1si8 h GLU 249 CO 0.11 0.45 0.00 0.09 -1.18 0.00 0.00 179.01 178.48 1si8 n ASN 250 N -4.02 1.20 -1.68 1.04 3.02 0.32 -4.91 115.26 110.23 1si8 n ASN 250 Ca -0.02 -1.68 -0.15 0.00 -0.03 0.00 0.00 54.58 52.70 1si8 n ASN 250 Cb 0.46 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1si8 n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 251 N 0.03 -1.21 -2.80 3.52 6.02 -0.74 -4.92 117.38 117.28 1si8 n GLN 251 Ca 0.14 0.80 -0.40 0.00 -0.01 0.00 0.00 57.00 57.53 1si8 n GLN 251 Cb 0.25 -5.13 0.01 0.00 1.02 0.00 0.00 30.24 26.39 1si8 n GLN 251 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1si8 n GLU 252 N -2.50 4.90 -1.61 -1.09 1.02 0.97 -5.01 120.64 117.33 1si8 n GLU 252 Ca -0.18 -4.65 -0.48 0.00 -0.02 0.00 0.00 57.16 51.83 1si8 n GLU 252 Cb 0.62 -2.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.53 1si8 n GLU 252 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1si8 n PHE 253 N 0.38 2.08 -2.56 -0.32 0.99 -1.26 -4.49 117.46 112.28 1si8 n PHE 253 Ca 0.39 0.03 -0.36 0.00 -0.00 0.00 0.00 57.45 57.51 1si8 n PHE 253 Cb 0.30 -2.65 -0.04 0.00 -1.00 0.00 0.00 39.48 36.09 1si8 n PHE 253 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1si8 s PRO 254 N 5.08 4.17 0.10 -1.08 0.04 -1.24 -4.84 135.00 137.23 1si8 s PRO 254 Ca 0.99 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1si8 s PRO 254 Cb -0.66 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1si8 s PRO 254 CO 0.48 -0.14 -0.02 -1.54 0.04 0.00 0.00 177.00 175.82 1si8 s SER 255 N -1.61 0.79 0.01 6.66 1.04 -1.26 -1.65 113.70 117.68 1si8 s SER 255 Ca 0.58 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1si8 s SER 255 Cb -0.21 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1si8 s SER 255 CO 0.27 -0.58 -0.05 0.26 0.98 0.00 0.00 173.24 174.12 1si8 s TRP 256 N -3.81 0.45 -0.28 5.02 0.51 0.48 -1.29 118.94 120.02 1si8 s TRP 256 Ca 0.15 -0.18 -0.11 0.00 -2.12 0.00 0.00 56.10 53.84 1si8 s TRP 256 Cb 0.07 -0.29 -0.05 0.00 -0.81 0.00 0.00 33.47 32.39 1si8 s TRP 256 CO -0.03 -0.03 0.20 0.99 -0.51 0.00 0.00 176.95 177.57 1si8 s THR 257 N -0.42 5.30 -0.15 2.01 2.01 0.14 -0.30 115.64 124.22 1si8 s THR 257 Ca -0.01 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 1si8 s THR 257 Cb -0.04 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1si8 s THR 257 CO -0.00 0.24 0.36 -0.22 -0.69 0.00 0.00 174.62 174.31 1si8 s LEU 258 N 1.77 4.25 0.04 4.42 2.96 0.59 -1.06 118.68 131.65 1si8 s LEU 258 Ca 0.07 0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1si8 s LEU 258 Cb -0.16 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1si8 s LEU 258 CO 0.11 0.06 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.23 1si8 s SER 259 N 0.54 0.42 0.26 3.68 1.04 -0.52 0.54 113.70 119.66 1si8 s SER 259 Ca 0.20 -0.72 0.10 0.00 0.48 0.00 0.00 55.95 56.00 1si8 s SER 259 Cb -0.14 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 1si8 s SER 259 CO 0.06 -0.42 -0.15 0.68 0.98 0.00 0.00 173.24 174.39 1si8 s VAL 260 N -2.52 2.10 -0.18 5.02 -7.23 0.10 -1.41 120.40 116.28 1si8 s VAL 260 Ca -0.05 -2.29 -0.07 0.00 -1.81 0.00 0.00 61.98 57.76 1si8 s VAL 260 Cb -0.02 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1si8 s VAL 260 CO -0.05 -0.43 0.06 -1.10 -0.31 0.00 0.00 175.10 173.27 1si8 s GLN 261 N -3.59 3.94 -0.21 4.82 -0.21 -0.69 -0.36 119.66 123.36 1si8 s GLN 261 Ca 0.28 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.29 1si8 s GLN 261 Cb -0.02 -3.20 0.01 0.00 1.00 0.00 0.00 33.01 30.80 1si8 s GLN 261 CO 0.12 0.25 -0.12 0.42 -2.12 0.00 0.00 175.29 173.84 1si8 s ILE 262 N 0.44 2.65 -0.26 1.08 1.01 -1.26 -2.06 121.20 122.80 1si8 s ILE 262 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1si8 s ILE 262 Cb -0.13 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.19 1si8 s ILE 262 CO 0.01 0.43 -0.08 -0.63 0.00 0.00 0.00 174.94 174.67 1si8 s ILE 263 N 1.36 2.55 0.38 2.92 1.09 0.80 -4.97 121.20 125.34 1si8 s ILE 263 Ca 0.04 -1.35 -0.28 0.00 -1.10 0.00 0.00 60.65 57.96 1si8 s ILE 263 Cb -0.14 -2.40 -0.11 0.00 -1.06 0.00 0.00 42.46 38.75 1si8 s ILE 263 CO -0.08 0.06 1.46 -2.65 -0.10 0.00 0.00 174.94 173.63 1si8 n PRO 264 N 4.56 2.56 -0.33 2.79 -0.02 -1.26 0.26 135.00 143.56 1si8 n PRO 264 Ca -0.15 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1si8 n PRO 264 Cb 0.44 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 1si8 n PRO 264 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1si8 n TYR 265 N 0.33 -0.16 -0.25 6.00 -0.00 -0.82 -0.21 117.16 122.04 1si8 n TYR 265 Ca 0.02 1.02 0.14 0.00 -0.00 0.00 0.00 57.90 59.08 1si8 n TYR 265 Cb 0.39 -0.69 0.42 0.00 -0.00 0.00 0.00 39.34 39.46 1si8 n TYR 265 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1si8 h ALA 266 N 0.78 1.93 0.00 2.98 0.00 -1.90 -0.44 119.26 122.62 1si8 h ALA 266 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1si8 h ALA 266 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1si8 h ALA 266 CO -0.80 -0.18 -0.10 -0.44 0.00 0.00 0.00 179.25 177.73 1si8 h ASP 267 N 0.60 0.00 0.44 0.00 5.19 -0.93 -2.72 116.42 119.01 1si8 h ASP 267 Ca 0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1si8 h ASP 267 Cb 0.82 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1si8 h ASP 267 CO -0.19 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.03 1si8 h ALA 268 N 1.90 1.00 -0.67 3.45 0.00 -1.02 -3.19 119.26 120.72 1si8 h ALA 268 Ca -0.00 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1si8 h ALA 268 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1si8 h ALA 268 CO 0.01 0.00 0.55 -0.07 0.00 0.00 0.00 179.25 179.75 1si8 h LEU 269 N 0.00 0.00 -0.89 0.00 3.38 -1.61 0.13 115.31 116.32 1si8 h LEU 269 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1si8 h LEU 269 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1si8 h LEU 269 CO 0.00 0.00 -0.51 0.35 0.09 0.00 0.00 178.44 178.37 1si8 n THR 270 N -4.05 0.00 -0.15 0.22 -2.24 -1.20 -4.59 114.28 102.26 1si8 n THR 270 Ca 0.13 -0.25 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1si8 n THR 270 Cb 0.81 1.23 0.04 0.00 -2.10 0.00 0.00 70.33 70.30 1si8 n THR 270 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1si8 n MET 271 N -0.17 2.80 -0.26 -0.78 2.81 0.42 -4.80 117.12 117.14 1si8 n MET 271 Ca 0.08 -1.71 0.06 0.00 -1.81 0.00 0.00 57.70 54.33 1si8 n MET 271 Cb 0.44 -1.10 0.19 0.00 -0.71 0.00 0.00 33.22 32.04 1si8 n MET 271 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1si8 h LYS 272 N 0.28 0.24 -0.15 0.03 1.57 -1.73 0.46 116.57 117.27 1si8 h LYS 272 Ca 0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1si8 h LYS 272 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1si8 h LYS 272 CO 0.00 0.16 0.12 0.93 -0.57 0.00 0.00 179.45 180.09 1si8 h GLU 273 N 0.25 0.00 0.00 3.15 5.08 -1.91 -1.60 114.58 119.56 1si8 h GLU 273 Ca 0.43 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1si8 h GLU 273 Cb 0.76 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1si8 h GLU 273 CO -0.54 0.00 -1.54 2.41 -1.00 0.00 0.00 179.01 178.34 1si8 n THR 274 N -4.39 1.51 -0.33 1.13 -1.04 0.50 -4.02 114.28 107.65 1si8 n THR 274 Ca 0.01 -0.09 0.06 0.00 -2.04 0.00 0.00 64.05 61.98 1si8 n THR 274 Cb 0.24 -2.06 0.22 0.00 -1.82 0.00 0.00 70.33 66.91 1si8 n THR 274 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1si8 h LEU 275 N -1.00 0.78 -2.17 -4.42 5.85 -0.21 -2.67 115.31 111.47 1si8 h LEU 275 Ca -0.39 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1si8 h LEU 275 Cb 1.27 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1si8 h LEU 275 CO -0.23 0.41 0.00 0.49 -0.34 0.00 0.00 178.44 178.76 1si8 n PHE 276 N -4.70 0.58 -3.60 1.25 3.72 -0.61 -4.37 117.46 109.73 1si8 n PHE 276 Ca 0.17 -0.29 -0.40 0.00 -0.05 0.00 0.00 57.45 56.88 1si8 n PHE 276 Cb 0.35 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.79 1si8 n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1si8 s ASP 277 N -1.34 5.65 0.00 4.37 -1.08 -1.01 -4.18 116.67 119.09 1si8 s ASP 277 Ca 0.39 -1.41 0.09 0.00 -0.52 0.00 0.00 52.55 51.10 1si8 s ASP 277 Cb 0.22 -1.99 0.55 0.00 -1.46 0.00 0.00 42.92 40.24 1si8 s ASP 277 CO 0.30 -0.51 0.97 0.55 0.52 0.00 0.00 175.17 177.00 1si8 n VAL 278 N 4.93 0.00 -0.01 1.11 3.14 -1.26 -1.66 118.33 124.58 1si8 n VAL 278 Ca -0.10 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.38 1si8 n VAL 278 Cb 0.43 -0.67 0.28 0.00 -1.06 0.00 0.00 33.84 32.83 1si8 n VAL 278 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1si8 n THR 279 N -0.87 0.83 -4.24 1.55 -2.24 -1.26 -1.62 114.28 106.43 1si8 n THR 279 Ca 0.07 -0.85 -0.15 0.00 -2.27 0.00 0.00 64.05 60.85 1si8 n THR 279 Cb 0.03 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 1si8 n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1si8 s LYS 280 N -1.17 1.02 0.30 -0.78 1.02 -0.66 -4.84 119.74 114.62 1si8 s LYS 280 Ca 0.43 -1.36 0.10 0.00 0.02 0.00 0.00 55.97 55.16 1si8 s LYS 280 Cb 0.23 -0.67 -0.05 0.00 -0.52 0.00 0.00 37.83 36.82 1si8 s LYS 280 CO 0.30 0.10 -0.04 0.95 -0.92 0.00 0.00 175.35 175.73 1si8 s THR 281 N -2.94 2.92 -0.21 2.17 -4.23 -1.26 -4.87 115.64 107.22 1si8 s THR 281 Ca 0.13 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 1si8 s THR 281 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1si8 s THR 281 CO 0.01 -0.31 0.12 -0.69 -0.54 0.00 0.00 174.62 173.21 1si8 s VAL 282 N -2.44 5.24 -0.07 2.29 1.01 -1.26 -4.98 120.40 120.19 1si8 s VAL 282 Ca 0.32 0.13 -0.39 0.00 0.00 0.00 0.00 61.98 62.04 1si8 s VAL 282 Cb -0.04 -3.40 -0.18 0.00 0.00 0.00 0.00 36.38 32.76 1si8 s VAL 282 CO 0.19 0.42 1.38 -0.24 0.00 0.00 0.00 175.10 176.84 1si8 n SER 283 N 3.75 1.32 0.20 3.32 2.88 -1.26 -4.87 113.62 118.96 1si8 n SER 283 Ca -0.16 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1si8 n SER 283 Cb 0.52 -1.08 0.21 0.00 -0.75 0.00 0.00 64.21 63.11 1si8 n SER 283 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1si8 h GLN 284 N 4.73 0.00 -0.12 -1.46 4.20 -1.97 -1.41 115.11 119.08 1si8 h GLN 284 Ca -0.48 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.11 1si8 h GLN 284 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1si8 h GLN 284 CO 0.80 0.00 -0.38 0.87 -0.67 0.00 0.00 178.83 179.45 1si8 h LYS 285 N 0.00 0.47 -0.36 1.46 1.57 -1.98 -0.87 116.57 116.86 1si8 h LYS 285 Ca 0.00 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.34 1si8 h LYS 285 Cb 0.95 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1si8 h LYS 285 CO 0.00 0.97 -0.15 0.93 -0.57 0.00 0.00 179.45 180.63 1si8 h GLU 286 N 0.06 0.74 -2.89 3.15 5.08 -1.94 -3.38 114.58 115.39 1si8 h GLU 286 Ca -0.01 -0.31 -0.61 0.00 -1.00 0.00 0.00 59.36 57.43 1si8 h GLU 286 Cb 1.01 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.83 1si8 h GLU 286 CO 0.08 0.92 -0.76 0.71 -1.00 0.00 0.00 179.01 178.96 1si8 s TYR 287 N -4.67 1.97 0.81 4.33 2.02 -0.54 -5.10 117.35 116.18 1si8 s TYR 287 Ca -0.12 -2.46 -0.11 0.00 -0.37 0.00 0.00 57.07 54.00 1si8 s TYR 287 Cb 0.10 -1.79 0.08 0.00 -0.40 0.00 0.00 41.96 39.95 1si8 s TYR 287 CO 0.82 -0.76 1.12 -1.25 -1.57 0.00 0.00 175.55 173.91 1si8 s PRO 288 N 0.16 1.82 0.30 -1.71 0.04 -0.33 -4.32 135.00 130.95 1si8 s PRO 288 Ca 0.20 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1si8 s PRO 288 Cb -0.18 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1si8 s PRO 288 CO -0.04 -2.01 1.23 -0.51 0.04 0.00 0.00 177.00 175.71 1si8 s LEU 289 N -6.04 4.47 -0.19 -3.56 1.43 -1.26 -4.57 118.68 108.96 1si8 s LEU 289 Ca 0.65 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 56.28 1si8 s LEU 289 Cb -0.21 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.40 1si8 s LEU 289 CO 0.55 -0.39 -0.17 -0.63 0.23 0.00 0.00 176.35 175.93 1si8 s ILE 290 N -1.07 1.98 0.31 -0.59 1.01 0.51 -4.90 121.20 118.46 1si8 s ILE 290 Ca 0.48 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1si8 s ILE 290 Cb -0.37 -1.86 -0.10 0.00 0.01 0.00 0.00 42.46 40.13 1si8 s ILE 290 CO 0.48 0.41 1.42 -0.70 0.00 0.00 0.00 174.94 176.55 1si8 s GLU 291 N 1.29 4.24 -0.10 2.79 2.12 -1.26 0.01 118.70 127.80 1si8 s GLU 291 Ca 0.02 2.36 -0.05 0.00 0.36 0.00 0.00 54.97 57.67 1si8 s GLU 291 Cb -0.14 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1si8 s GLU 291 CO -0.11 -0.39 -0.13 0.28 -0.54 0.00 0.00 175.26 174.37 1si8 n VAL 292 N 1.41 0.56 -3.63 3.70 0.31 0.19 -4.47 118.33 116.40 1si8 n VAL 292 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1si8 n VAL 292 Cb 0.40 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1si8 n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 293 N 2.38 0.62 3.14 2.92 0.00 -0.96 -0.41 105.19 112.87 1si8 n GLY 293 Ca -0.20 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1si8 n GLY 293 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1si8 s THR 294 N -2.07 1.42 -0.17 2.61 2.01 0.16 -0.30 115.64 119.29 1si8 s THR 294 Ca 0.00 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 1si8 s THR 294 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1si8 s THR 294 CO 0.00 0.41 0.04 -0.32 -0.69 0.00 0.00 174.62 174.05 1si8 s MET 295 N -0.01 3.89 -0.05 4.92 -2.45 0.58 -0.84 119.30 125.35 1si8 s MET 295 Ca -0.03 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.05 1si8 s MET 295 Cb -0.11 -3.13 0.01 0.00 1.25 0.00 0.00 34.83 32.85 1si8 s MET 295 CO 0.02 0.27 -0.10 0.99 1.05 0.00 0.00 175.02 177.25 1si8 s THR 296 N 0.34 0.93 -0.29 10.11 2.01 -0.03 -0.39 115.64 128.32 1si8 s THR 296 Ca 0.01 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1si8 s THR 296 Cb -0.13 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1si8 s THR 296 CO 0.01 0.30 0.22 -0.76 -0.69 0.00 0.00 174.62 173.70 1si8 s LEU 297 N 0.62 4.10 -0.02 4.42 1.02 -0.66 -0.76 118.68 127.40 1si8 s LEU 297 Ca -0.12 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.02 1si8 s LEU 297 Cb -0.14 -2.16 0.04 0.00 0.02 0.00 0.00 46.19 43.94 1si8 s LEU 297 CO 0.02 -0.10 0.82 -0.46 0.02 0.00 0.00 176.35 176.65 1si8 n ASN 298 N 5.10 0.67 -3.66 2.29 0.23 -0.50 -3.72 115.26 115.66 1si8 n ASN 298 Ca -0.13 -1.73 -0.07 0.00 -0.53 0.00 0.00 54.58 52.11 1si8 n ASN 298 Cb 0.51 -0.11 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 1si8 n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1si8 s ARG 299 N -0.55 0.50 0.61 -3.83 3.52 -0.99 -5.00 118.95 113.20 1si8 s ARG 299 Ca 0.04 1.10 -0.13 0.00 -0.13 0.00 0.00 55.73 56.60 1si8 s ARG 299 Cb 0.04 0.28 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1si8 s ARG 299 CO 0.00 -0.19 1.03 -0.80 -0.81 0.00 0.00 175.30 174.54 1si8 s ASN 300 N 2.04 5.98 0.80 -2.12 0.02 -1.26 0.12 114.94 120.52 1si8 s ASN 300 Ca -0.07 1.61 -0.13 0.00 -1.02 0.00 0.00 52.86 53.25 1si8 s ASN 300 Cb -0.09 -2.50 0.08 0.00 0.02 0.00 0.00 41.25 38.76 1si8 s ASN 300 CO -0.16 -1.03 1.18 -2.84 0.02 0.00 0.00 177.10 174.26 1si8 s PRO 301 N -4.61 1.75 0.02 -0.60 0.02 -1.26 -4.80 135.00 125.52 1si8 s PRO 301 Ca 0.59 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1si8 s PRO 301 Cb -0.13 -1.80 -0.34 0.00 0.02 0.00 0.00 34.50 32.25 1si8 s PRO 301 CO 0.45 -2.10 0.93 1.49 -0.33 0.00 0.00 177.00 177.43 1si8 h GLU 302 N -0.93 0.48 -2.97 5.54 4.57 -2.00 -3.45 114.58 115.82 1si8 h GLU 302 Ca -0.46 -0.83 -0.20 0.00 -1.18 0.00 0.00 59.36 56.69 1si8 h GLU 302 Cb 1.28 0.31 -0.31 0.00 -0.16 0.00 0.00 28.75 29.87 1si8 h GLU 302 CO 0.47 1.39 -0.50 1.21 -1.18 0.00 0.00 179.01 180.40 1si8 s ASN 303 N -7.48 -0.08 0.08 1.04 3.84 -1.26 -5.08 114.94 106.01 1si8 s ASN 303 Ca -0.10 0.55 -0.25 0.00 0.21 0.00 0.00 52.86 53.26 1si8 s ASN 303 Cb 0.05 0.49 -0.16 0.00 -0.55 0.00 0.00 41.25 41.08 1si8 s ASN 303 CO 0.92 -0.19 1.71 0.22 -2.79 0.00 0.00 177.10 176.97 1si8 h TYR 304 N 7.52 -0.16 -0.01 0.43 3.20 -1.98 -2.43 116.97 123.54 1si8 h TYR 304 Ca -0.33 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.55 1si8 h TYR 304 Cb 1.14 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1si8 h TYR 304 CO 0.36 -0.10 -0.03 0.35 -1.64 0.00 0.00 178.16 177.11 1si8 h PHE 305 N -0.18 -0.07 -0.66 -3.82 3.57 -1.98 0.33 116.94 114.12 1si8 h PHE 305 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1si8 h PHE 305 Cb 0.14 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1si8 h PHE 305 CO -0.07 -0.05 0.40 0.00 -2.23 0.00 0.00 178.31 176.36 1si8 h ALA 306 N 0.96 1.47 0.00 2.41 0.00 -1.97 -2.26 119.26 119.86 1si8 h ALA 306 Ca 0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1si8 h ALA 306 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1si8 h ALA 306 CO -0.04 0.47 -1.36 0.39 0.00 0.00 0.00 179.25 178.71 1si8 n GLU 307 N -4.41 0.48 -0.04 0.00 1.02 -0.92 -4.26 120.64 112.50 1si8 n GLU 307 Ca 0.07 0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 57.25 1si8 n GLU 307 Cb 0.07 -1.32 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 1si8 n GLU 307 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1si8 h VAL 308 N -0.86 1.33 0.03 2.62 2.07 -0.56 -2.44 116.25 118.44 1si8 h VAL 308 Ca -0.20 -1.76 -0.26 0.00 0.82 0.00 0.00 66.70 65.30 1si8 h VAL 308 Cb 1.09 1.99 0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1si8 h VAL 308 CO -0.12 0.54 -1.06 -0.08 0.02 0.00 0.00 177.57 176.87 1si8 h GLU 309 N 0.30 0.57 -0.00 1.57 4.57 -1.25 -3.33 114.58 117.00 1si8 h GLU 309 Ca -0.02 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1si8 h GLU 309 Cb 1.13 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1si8 h GLU 309 CO 0.11 1.26 -0.33 1.04 -1.18 0.00 0.00 179.01 179.91 1si8 n GLN 310 N -3.79 0.25 -1.96 1.92 6.02 -0.86 -4.93 117.38 114.03 1si8 n GLN 310 Ca -0.10 -0.13 -0.38 0.00 -0.01 0.00 0.00 57.00 56.38 1si8 n GLN 310 Cb 0.89 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.67 1si8 n GLN 310 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1si8 s VAL 311 N -2.84 2.46 -0.14 5.09 0.11 -0.92 -4.90 120.40 119.26 1si8 s VAL 311 Ca 0.16 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1si8 s VAL 311 Cb 0.18 -3.19 0.02 0.00 -1.53 0.00 0.00 36.38 31.87 1si8 s VAL 311 CO 0.61 0.01 -0.13 0.42 -3.33 0.00 0.00 175.10 172.68 1si8 s THR 312 N -1.36 1.49 0.14 5.04 -4.23 -1.26 -5.05 115.64 110.41 1si8 s THR 312 Ca 0.67 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1si8 s THR 312 Cb -0.37 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1si8 s THR 312 CO 0.45 0.45 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.53 1si8 s PHE 313 N 1.48 2.72 -0.20 3.99 0.40 -1.26 -5.01 117.98 120.10 1si8 s PHE 313 Ca 0.04 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1si8 s PHE 313 Cb -0.13 -1.38 0.07 0.00 0.51 0.00 0.00 43.02 42.09 1si8 s PHE 313 CO -0.10 0.47 0.49 0.45 0.70 0.00 0.00 175.22 177.23 1si8 s SER 314 N -2.54 -0.62 0.59 1.36 0.15 -1.26 -4.80 113.70 106.57 1si8 s SER 314 Ca 0.24 1.08 0.39 0.00 0.70 0.00 0.00 55.95 58.35 1si8 s SER 314 Cb -0.10 1.00 2.05 0.00 -1.71 0.00 0.00 66.02 67.26 1si8 s SER 314 CO 0.15 -0.21 2.20 -0.65 1.20 0.00 0.00 173.24 175.93 1si8 h PRO 315 N 7.18 0.00 -0.01 5.44 0.11 -1.85 0.06 132.00 142.94 1si8 h PRO 315 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1si8 h PRO 315 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1si8 h PRO 315 CO 0.24 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.44 1si8 n GLY 316 N -0.88 -0.58 3.35 -0.55 0.00 -1.26 -4.50 105.19 100.76 1si8 n GLY 316 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1si8 n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 317 N -0.51 5.04 -4.95 1.61 5.03 0.01 -4.97 115.26 116.52 1si8 n ASN 317 Ca 0.22 -2.98 -0.24 0.00 0.87 0.00 0.00 54.58 52.45 1si8 n ASN 317 Cb 0.22 -1.61 0.04 0.00 -1.02 0.00 0.00 39.78 37.41 1si8 n ASN 317 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1si8 s PHE 318 N 2.13 3.04 0.13 3.10 0.40 -1.26 -2.09 117.98 123.42 1si8 s PHE 318 Ca 0.45 0.28 0.05 0.00 -0.60 0.00 0.00 56.93 57.12 1si8 s PHE 318 Cb 0.02 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1si8 s PHE 318 CO 0.02 -0.87 -0.12 0.14 0.70 0.00 0.00 175.22 175.08 1si8 s VAL 319 N -2.87 1.25 0.10 -0.44 -7.23 -1.26 -4.83 120.40 105.11 1si8 s VAL 319 Ca 0.55 -1.80 -0.36 0.00 -1.81 0.00 0.00 61.98 58.56 1si8 s VAL 319 Cb -0.10 -1.59 -0.16 0.00 0.56 0.00 0.00 36.38 35.08 1si8 s VAL 319 CO 0.41 -0.52 1.37 -2.65 -0.31 0.00 0.00 175.10 173.40 1si8 n PRO 320 N 0.34 1.29 0.00 4.82 -0.02 -1.26 -1.75 135.00 138.41 1si8 n PRO 320 Ca -0.14 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1si8 n PRO 320 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1si8 n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1si8 n GLY 321 N 2.62 2.57 3.08 -1.23 0.00 -1.26 -3.13 105.19 107.83 1si8 n GLY 321 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1si8 n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 322 N -2.52 1.53 0.26 -0.61 1.01 -0.72 -1.34 121.20 118.81 1si8 s ILE 322 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1si8 s ILE 322 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1si8 s ILE 322 CO 0.00 0.45 0.15 -1.61 0.00 0.00 0.00 174.94 173.92 1si8 s GLU 323 N 0.85 1.45 0.57 2.79 2.02 0.91 -4.20 118.70 123.09 1si8 s GLU 323 Ca -0.09 -1.80 -0.14 0.00 0.02 0.00 0.00 54.97 52.95 1si8 s GLU 323 Cb -0.15 0.01 -0.06 0.00 0.10 0.00 0.00 34.13 34.03 1si8 s GLU 323 CO 0.00 -0.41 1.01 0.00 0.02 0.00 0.00 175.26 175.88 1si8 s ALA 324 N -3.79 3.02 0.42 5.21 0.00 -1.26 -0.65 121.76 124.70 1si8 s ALA 324 Ca 0.38 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1si8 s ALA 324 Cb 0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1si8 s ALA 324 CO 0.16 -0.50 0.23 -1.54 0.00 0.00 0.00 175.76 174.11 1si8 s SER 325 N -3.42 4.56 0.00 0.00 1.04 -1.26 -4.55 113.70 110.07 1si8 s SER 325 Ca 0.58 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1si8 s SER 325 Cb -0.11 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1si8 s SER 325 CO 0.40 -0.58 0.64 -2.65 0.98 0.00 0.00 173.24 172.04 1si8 n PRO 326 N -1.32 0.67 -1.63 4.02 -0.02 -1.26 -4.69 135.00 130.77 1si8 n PRO 326 Ca -0.00 0.00 -0.48 0.00 -2.02 0.00 0.00 63.50 61.00 1si8 n PRO 326 Cb 0.64 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 33.05 1si8 n PRO 326 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1si8 n ASP 327 N -0.46 3.24 -0.07 2.55 -0.08 -1.26 -4.85 116.55 115.62 1si8 n ASP 327 Ca 0.00 0.76 0.04 0.00 -1.51 0.00 0.00 54.79 54.07 1si8 n ASP 327 Cb 0.01 -1.39 0.38 0.00 2.34 0.00 0.00 41.12 42.46 1si8 n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1si8 h LYS 328 N 10.75 0.65 -0.24 -0.67 1.57 -1.75 0.08 116.57 126.96 1si8 h LYS 328 Ca -0.44 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 1si8 h LYS 328 Cb 1.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1si8 h LYS 328 CO 0.96 0.43 -0.12 1.25 -0.57 0.00 0.00 179.45 181.40 1si8 h LEU 329 N 0.67 0.52 -0.42 2.94 5.85 -1.81 -2.69 115.31 120.37 1si8 h LEU 329 Ca 0.20 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1si8 h LEU 329 Cb -0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1si8 h LEU 329 CO -0.05 0.82 0.26 0.25 -0.34 0.00 0.00 178.44 179.38 1si8 h LEU 330 N 0.22 0.44 -0.59 2.25 6.46 -1.76 -2.43 115.31 119.91 1si8 h LEU 330 Ca 0.05 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.92 1si8 h LEU 330 Cb 0.62 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.37 1si8 h LEU 330 CO 0.04 0.32 0.11 1.56 -0.62 0.00 0.00 178.44 179.84 1si8 h GLN 331 N 0.54 0.23 -0.56 1.25 1.08 -0.90 -0.02 115.11 116.72 1si8 h GLN 331 Ca 0.16 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1si8 h GLN 331 Cb -0.03 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1si8 h GLN 331 CO -0.05 0.15 0.10 0.78 -0.95 0.00 0.00 178.83 178.86 1si8 h GLY 332 N 0.23 0.95 2.00 3.46 0.00 -1.21 -2.39 103.07 106.12 1si8 h GLY 332 Ca 0.31 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1si8 h GLY 332 CO -0.41 0.55 -0.15 3.21 0.00 0.00 0.00 176.54 179.74 1si8 h ARG 333 N 0.84 0.00 -0.21 4.80 3.08 -0.56 -1.88 114.38 120.46 1si8 h ARG 333 Ca 0.18 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1si8 h ARG 333 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1si8 h ARG 333 CO 0.01 0.15 0.15 -0.07 -1.07 0.00 0.00 179.97 179.13 1si8 h LEU 334 N 0.00 0.04 0.00 3.04 3.38 -0.73 -2.95 115.31 118.10 1si8 h LEU 334 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1si8 h LEU 334 Cb 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1si8 h LEU 334 CO 0.02 0.03 -0.94 0.15 0.09 0.00 0.00 178.44 177.79 1si8 h PHE 335 N 0.05 0.00 -0.78 1.13 3.57 -1.47 -3.43 116.94 116.02 1si8 h PHE 335 Ca 0.09 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.75 1si8 h PHE 335 Cb 0.32 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.91 1si8 h PHE 335 CO -0.00 1.05 -0.21 0.00 -2.23 0.00 0.00 178.31 176.92 1si8 h ALA 336 N -0.59 0.48 0.25 2.41 0.00 -1.22 -2.85 119.26 117.73 1si8 h ALA 336 Ca -0.23 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1si8 h ALA 336 Cb 1.05 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1si8 h ALA 336 CO -0.14 -0.43 -0.12 1.88 0.00 0.00 0.00 179.25 180.44 1si8 h TYR 337 N -0.01 -0.31 -0.98 0.00 -1.99 -1.79 0.12 116.97 112.00 1si8 h TYR 337 Ca 0.37 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.18 1si8 h TYR 337 Cb 0.58 0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.34 1si8 h TYR 337 CO -0.63 -0.06 0.63 0.78 -0.00 0.00 0.00 178.16 178.88 1si8 h GLY 338 N -0.53 1.52 0.96 3.88 0.00 -1.81 0.43 103.07 107.53 1si8 h GLY 338 Ca -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1si8 h GLY 338 CO 0.06 0.27 0.09 -1.80 0.00 0.00 0.00 176.54 175.16 1si8 h ASP 339 N 1.09 0.72 -0.83 0.19 3.58 -1.32 -2.62 116.42 117.21 1si8 h ASP 339 Ca 0.44 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1si8 h ASP 339 Cb 0.28 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1si8 h ASP 339 CO -0.19 0.79 0.44 0.00 -2.88 0.00 0.00 179.24 177.39 1si8 h ALA 340 N 0.96 1.07 -0.76 -0.78 0.00 0.42 -2.81 119.26 117.36 1si8 h ALA 340 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1si8 h ALA 340 Cb 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1si8 h ALA 340 CO 0.01 0.60 0.49 0.45 0.00 0.00 0.00 179.25 180.80 1si8 h HIS 341 N 1.17 0.93 -0.11 0.00 3.86 -0.76 -0.22 115.15 120.02 1si8 h HIS 341 Ca 0.29 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.48 1si8 h HIS 341 Cb 0.07 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1si8 h HIS 341 CO 0.01 0.56 -0.15 0.00 0.86 0.00 0.00 177.93 179.21 1si8 h ARG 342 N 0.99 0.17 0.05 2.45 3.08 -1.21 0.49 114.38 120.40 1si8 h ARG 342 Ca 0.29 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 1si8 h ARG 342 Cb -0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1si8 h ARG 342 CO -0.09 0.32 -0.66 1.25 -1.07 0.00 0.00 179.97 179.73 1si8 h HIS 343 N 0.16 0.21 -0.24 3.04 2.76 -1.33 -3.06 115.15 116.68 1si8 h HIS 343 Ca 0.03 -0.15 -0.14 0.00 -2.20 0.00 0.00 60.37 57.91 1si8 h HIS 343 Cb 0.36 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1si8 h HIS 343 CO 0.00 1.26 -0.40 -0.09 -1.30 0.00 0.00 177.93 177.40 1si8 h ARG 344 N -0.73 0.70 0.00 5.26 2.43 -0.98 -3.41 114.38 117.64 1si8 h ARG 344 Ca -0.15 -0.43 -0.21 0.00 -0.81 0.00 0.00 59.98 58.38 1si8 h ARG 344 Cb 1.34 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1si8 h ARG 344 CO 0.01 1.05 -1.68 0.28 -1.51 0.00 0.00 179.97 178.12 1si8 n VAL 345 N -4.20 0.75 0.00 0.20 0.31 0.05 -4.56 118.33 110.88 1si8 n VAL 345 Ca -0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1si8 n VAL 345 Cb 0.54 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1si8 n VAL 345 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 346 N 2.19 3.55 0.32 2.92 0.00 -0.53 -4.83 105.19 108.82 1si8 n GLY 346 Ca -0.25 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1si8 n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1si8 h ALA 347 N 0.00 1.99 -0.78 4.61 0.00 -1.85 -2.57 119.26 120.66 1si8 h ALA 347 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1si8 h ALA 347 Cb 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 17.48 1si8 h ALA 347 CO 0.00 -0.07 0.40 0.09 0.00 0.00 0.00 179.25 179.67 1si8 n ASN 348 N -4.48 3.40 0.29 0.00 3.02 -1.26 -4.63 115.26 111.61 1si8 n ASN 348 Ca 0.05 -3.68 0.15 0.00 -0.03 0.00 0.00 54.58 51.07 1si8 n ASN 348 Cb 0.25 -0.77 0.90 0.00 -0.61 0.00 0.00 39.78 39.55 1si8 n ASN 348 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1si8 h SER 349 N 1.03 0.00 0.52 6.41 4.64 -1.78 -1.22 113.55 123.15 1si8 h SER 349 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1si8 h SER 349 Cb 2.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.50 1si8 h SER 349 CO 0.87 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.83 1si8 n HIS 350 N -3.90 0.67 0.91 4.77 1.44 -1.26 -2.06 115.22 115.79 1si8 n HIS 350 Ca -0.03 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1si8 n HIS 350 Cb 0.09 -0.96 0.31 0.00 0.12 0.00 0.00 29.99 29.55 1si8 n HIS 350 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1si8 n GLN 351 N -2.13 0.06 -2.33 -1.40 6.02 -0.46 -3.26 117.38 113.88 1si8 n GLN 351 Ca 0.01 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 1si8 n GLN 351 Cb 0.17 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1si8 n GLN 351 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1si8 s LEU 352 N -3.27 4.50 0.24 1.08 1.43 -0.87 -4.79 118.68 117.00 1si8 s LEU 352 Ca 0.11 2.42 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 1si8 s LEU 352 Cb 0.17 -3.63 0.29 0.00 0.03 0.00 0.00 46.19 43.04 1si8 s LEU 352 CO 0.67 -0.31 1.55 -2.65 0.23 0.00 0.00 176.35 175.84 1si8 n PRO 353 N 1.21 -0.20 0.30 1.29 -0.02 -1.26 -0.24 135.00 136.08 1si8 n PRO 353 Ca -0.00 1.54 0.15 0.00 -2.02 0.00 0.00 63.50 63.17 1si8 n PRO 353 Cb 0.44 -2.29 0.91 0.00 -0.02 0.00 0.00 33.50 32.54 1si8 n PRO 353 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1si8 h ILE 354 N 0.00 0.49 -0.01 4.25 6.09 -1.92 -2.63 117.51 123.79 1si8 h ILE 354 Ca 0.38 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 1si8 h ILE 354 Cb 0.62 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1si8 h ILE 354 CO -1.00 0.02 -0.64 0.59 -3.07 0.00 0.00 178.15 174.06 1si8 n ASN 355 N -3.75 1.54 -4.76 2.19 3.02 0.67 -4.91 115.26 109.26 1si8 n ASN 355 Ca -0.03 -1.27 -0.39 0.00 -0.03 0.00 0.00 54.58 52.86 1si8 n ASN 355 Cb 0.11 0.68 0.02 0.00 -0.61 0.00 0.00 39.78 39.98 1si8 n ASN 355 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1si8 s GLN 356 N -2.54 3.58 0.37 3.52 -0.21 -0.56 -4.82 119.66 118.99 1si8 s GLN 356 Ca 0.13 2.23 -0.18 0.00 0.02 0.00 0.00 55.36 57.57 1si8 s GLN 356 Cb 0.16 -2.52 -0.10 0.00 1.00 0.00 0.00 33.01 31.55 1si8 s GLN 356 CO 0.64 -0.84 0.84 0.00 -2.12 0.00 0.00 175.29 173.81 1si8 s ALA 357 N -1.28 3.19 0.01 6.09 0.00 -1.26 -4.96 121.76 123.54 1si8 s ALA 357 Ca 0.64 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1si8 s ALA 357 Cb -0.40 -2.95 -0.28 0.00 0.00 0.00 0.00 23.12 19.49 1si8 s ALA 357 CO 0.50 0.23 1.04 -0.22 0.00 0.00 0.00 175.76 177.30 1si8 h LYS 358 N 2.08 0.46 -7.09 0.00 3.64 -1.87 -3.45 116.57 110.35 1si8 h LYS 358 Ca -0.48 -0.61 -0.50 0.00 -1.27 0.00 0.00 60.65 57.78 1si8 h LYS 358 Cb 1.18 0.20 0.07 0.00 -0.41 0.00 0.00 32.23 33.27 1si8 h LYS 358 CO 0.63 1.25 0.43 0.00 -2.27 0.00 0.00 179.45 179.50 1si8 s ALA 359 N -2.88 2.69 0.48 5.00 0.00 -1.25 -4.97 121.76 120.83 1si8 s ALA 359 Ca -0.12 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 1si8 s ALA 359 Cb 0.03 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1si8 s ALA 359 CO 0.87 -0.79 1.40 -0.35 0.00 0.00 0.00 175.76 176.89 1si8 n PRO 360 N -1.32 2.07 -3.87 0.00 -0.04 -1.26 -4.91 135.00 125.67 1si8 n PRO 360 Ca 0.12 0.74 -0.36 0.00 -0.04 0.00 0.00 63.50 63.96 1si8 n PRO 360 Cb 0.51 -2.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 1si8 n PRO 360 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1si8 s VAL 361 N -1.22 3.32 -0.26 0.52 1.01 -1.26 -4.99 120.40 117.51 1si8 s VAL 361 Ca 0.64 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1si8 s VAL 361 Cb -0.44 -2.74 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1si8 s VAL 361 CO 0.55 0.09 0.01 0.20 0.00 0.00 0.00 175.10 175.95 1si8 s ASN 362 N 1.38 3.85 0.37 3.32 0.01 -1.26 -5.11 114.94 117.50 1si8 s ASN 362 Ca 0.00 -1.35 0.04 0.00 -0.71 0.00 0.00 52.86 50.85 1si8 s ASN 362 Cb -0.17 -1.06 -0.02 0.00 0.41 0.00 0.00 41.25 40.41 1si8 s ASN 362 CO -0.01 -0.31 0.15 0.59 -1.51 0.00 0.00 177.10 176.01 1si8 n ASN 363 N 4.73 1.01 0.00 -1.22 5.03 -1.26 -4.91 115.26 118.63 1si8 n ASN 363 Ca -0.07 -3.02 0.00 0.00 0.87 0.00 0.00 54.58 52.35 1si8 n ASN 363 Cb 0.44 1.02 0.00 0.00 -1.02 0.00 0.00 39.78 40.22 1si8 n ASN 363 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1si8 n TYR 364 N -0.83 0.00 -2.36 3.10 4.01 -1.26 -4.98 117.16 114.84 1si8 n TYR 364 Ca -0.04 -0.31 -0.41 0.00 -0.16 0.00 0.00 57.90 56.98 1si8 n TYR 364 Cb 0.57 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1si8 n TYR 364 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1si8 s GLN 365 N -0.62 4.50 0.11 -0.72 -0.21 -1.26 -4.83 119.66 116.63 1si8 s GLN 365 Ca 0.00 1.90 -0.02 0.00 0.02 0.00 0.00 55.36 57.26 1si8 s GLN 365 Cb 0.00 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 1si8 s GLN 365 CO 0.00 -0.06 0.05 0.15 -2.12 0.00 0.00 175.29 173.31 1si8 s LYS 366 N -0.48 0.87 3.22 2.91 -0.14 -1.26 -5.07 119.74 119.79 1si8 s LYS 366 Ca 0.52 -1.37 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1si8 s LYS 366 Cb -0.33 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.06 1si8 s LYS 366 CO 0.38 -0.24 0.00 -0.25 -0.76 0.00 0.00 175.35 174.49 1si8 n ASP 367 N -0.06 0.00 0.00 2.83 8.00 -1.26 -5.04 116.55 121.03 1si8 n ASP 367 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1si8 n ASP 367 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1si8 n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1si8 n GLY 368 N 0.00 0.51 3.78 0.44 0.00 -1.26 -4.73 105.19 103.93 1si8 n GLY 368 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1si8 n GLY 368 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1si8 s ASN 369 N -1.41 6.34 -1.35 1.61 2.47 -1.26 -3.30 114.94 118.05 1si8 s ASN 369 Ca 0.00 3.02 -0.05 0.00 0.42 0.00 0.00 52.86 56.24 1si8 s ASN 369 Cb 0.00 -2.67 -0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1si8 s ASN 369 CO 0.00 -0.87 0.50 0.23 -3.72 0.00 0.00 177.10 173.24 1si8 n MET 370 N 0.44 -2.83 -2.62 0.43 2.81 -1.26 -4.41 117.12 109.67 1si8 n MET 370 Ca 0.01 0.41 -0.43 0.00 -1.81 0.00 0.00 57.70 55.88 1si8 n MET 370 Cb 0.40 -4.39 -0.02 0.00 -0.71 0.00 0.00 33.22 28.49 1si8 n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1si8 s ARG 371 N -6.46 3.68 0.26 0.03 6.06 -1.21 -4.88 118.95 116.44 1si8 s ARG 371 Ca 0.11 0.49 0.13 0.00 -2.50 0.00 0.00 55.73 53.96 1si8 s ARG 371 Cb -0.04 -3.92 0.19 0.00 0.06 0.00 0.00 34.95 31.24 1si8 s ARG 371 CO 0.88 -1.40 1.50 0.35 -2.50 0.00 0.00 175.30 174.13 1si8 h PHE 372 N 9.25 0.00 -2.50 5.12 3.57 -1.93 -3.44 116.94 127.01 1si8 h PHE 372 Ca -0.23 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.07 1si8 h PHE 372 Cb 1.06 0.00 -0.31 0.00 2.79 0.00 0.00 35.95 39.49 1si8 h PHE 372 CO 0.97 0.63 -0.50 1.21 -2.23 0.00 0.00 178.31 178.39 1si8 s ASN 373 N -6.58 0.39 -0.00 0.41 3.04 -1.26 -4.98 114.94 105.95 1si8 s ASN 373 Ca 0.01 0.44 0.13 0.00 0.04 0.00 0.00 52.86 53.48 1si8 s ASN 373 Cb 0.10 0.87 -0.15 0.00 -1.54 0.00 0.00 41.25 40.53 1si8 s ASN 373 CO 0.75 -0.27 0.55 0.59 -3.04 0.00 0.00 177.10 175.68 1si8 n ASN 374 N 5.36 0.75 0.00 -4.21 5.03 -1.26 -4.97 115.26 115.95 1si8 n ASN 374 Ca -0.06 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.65 1si8 n ASN 374 Cb 0.50 1.06 0.00 0.00 -1.02 0.00 0.00 39.78 40.32 1si8 n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1si8 n GLY 375 N 1.35 -1.80 0.20 7.41 0.00 -1.26 -4.79 105.19 106.30 1si8 n GLY 375 Ca 0.02 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 1si8 n GLY 375 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 376 N 0.25 2.22 -4.50 1.61 4.13 -1.26 -5.07 115.26 112.63 1si8 n ASN 376 Ca 0.00 0.01 -0.43 0.00 1.68 0.00 0.00 54.58 55.84 1si8 n ASN 376 Cb 0.00 -0.36 -0.00 0.00 -1.54 0.00 0.00 39.78 37.87 1si8 n ASN 376 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1si8 n SER 377 N -3.27 -0.07 0.00 6.41 2.88 -1.26 -4.92 113.62 113.39 1si8 n SER 377 Ca -0.33 1.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.35 1si8 n SER 377 Cb 0.81 -1.17 0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1si8 n SER 377 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1si8 n GLU 378 N 0.62 0.05 -3.35 -1.46 1.02 -1.26 -4.81 120.64 111.45 1si8 n GLU 378 Ca 0.12 -0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.80 1si8 n GLU 378 Cb 0.36 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1si8 n GLU 378 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1si8 s ILE 379 N -3.04 5.21 -0.23 -3.67 1.01 -1.26 -4.91 121.20 114.32 1si8 s ILE 379 Ca 0.08 -1.17 0.12 0.00 0.00 0.00 0.00 60.65 59.69 1si8 s ILE 379 Cb 0.16 -4.20 0.45 0.00 0.01 0.00 0.00 42.46 38.88 1si8 s ILE 379 CO 0.78 -0.68 1.32 -0.46 0.00 0.00 0.00 174.94 175.91 1si8 n ASN 380 N 5.27 2.29 -4.03 3.58 2.04 -1.26 -4.98 115.26 118.17 1si8 n ASN 380 Ca -0.13 -3.66 -0.08 0.00 -0.44 0.00 0.00 54.58 50.27 1si8 n ASN 380 Cb 0.43 -0.56 -0.11 0.00 -2.53 0.00 0.00 39.78 37.01 1si8 n ASN 380 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1si8 s TYR 381 N -3.16 0.38 -0.11 -2.53 -0.85 -1.26 -4.84 117.35 104.97 1si8 s TYR 381 Ca 0.40 -0.75 -0.09 0.00 -0.52 0.00 0.00 57.07 56.11 1si8 s TYR 381 Cb 0.37 -0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.47 1si8 s TYR 381 CO -0.02 -0.26 0.30 -2.00 -1.52 0.00 0.00 175.55 172.05 1si8 s GLU 382 N -2.47 0.33 0.67 -3.49 -6.30 -1.26 -4.38 118.70 101.80 1si8 s GLU 382 Ca -0.06 0.46 -0.16 0.00 -2.50 0.00 0.00 54.97 52.70 1si8 s GLU 382 Cb -0.03 0.11 0.01 0.00 0.00 0.00 0.00 34.13 34.22 1si8 s GLU 382 CO -0.05 -0.07 1.17 -1.25 0.02 0.00 0.00 175.26 175.09 1si8 s PRO 383 N 0.43 2.59 0.23 4.30 0.05 -1.26 -5.21 135.00 136.13 1si8 s PRO 383 Ca -0.02 1.65 -0.09 0.00 0.05 0.00 0.00 61.00 62.60 1si8 s PRO 383 Cb -0.04 -1.90 -0.02 0.00 0.05 0.00 0.00 34.50 32.60 1si8 s PRO 383 CO -0.02 -1.46 0.35 0.54 0.05 0.00 0.00 177.00 176.45 1si8 s ASN 384 N -2.08 -0.00 -0.24 6.66 2.20 -1.26 -5.06 114.94 115.15 1si8 s ASN 384 Ca 0.73 -1.08 0.08 0.00 -0.94 0.00 0.00 52.86 51.65 1si8 s ASN 384 Cb -0.26 0.51 0.60 0.00 -2.00 0.00 0.00 41.25 40.09 1si8 s ASN 384 CO 0.40 -1.02 1.56 -1.20 -2.94 0.00 0.00 177.10 173.90 1si8 n SER 385 N -0.33 4.33 -4.08 3.54 7.64 -1.26 -4.78 113.62 118.68 1si8 n SER 385 Ca -0.01 -2.90 -0.35 0.00 1.01 0.00 0.00 58.87 56.62 1si8 n SER 385 Cb 0.63 -0.69 -0.12 0.00 -1.01 0.00 0.00 64.21 63.03 1si8 n SER 385 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1si8 s TYR 386 N -2.44 3.54 0.49 1.43 1.51 -1.26 -4.97 117.35 115.65 1si8 s TYR 386 Ca 0.43 -2.65 0.32 0.00 -1.01 0.00 0.00 57.07 54.16 1si8 s TYR 386 Cb 0.34 -3.14 1.43 0.00 -0.11 0.00 0.00 41.96 40.48 1si8 s TYR 386 CO 0.11 -0.92 1.76 0.00 -1.11 0.00 0.00 175.55 175.40 1si8 h THR 387 N 6.06 0.38 0.00 -0.71 1.03 -2.02 -1.37 112.91 116.28 1si8 h THR 387 Ca -0.08 -0.04 -0.06 0.00 -0.01 0.00 0.00 66.41 66.22 1si8 h THR 387 Cb 1.01 0.25 -0.01 0.00 -1.07 0.00 0.00 68.15 68.33 1si8 h THR 387 CO 0.67 0.02 -0.29 1.05 -0.01 0.00 0.00 175.52 176.97 1si8 h GLU 388 N 0.12 0.00 -7.22 0.00 4.11 -1.99 -3.46 114.58 106.14 1si8 h GLU 388 Ca 0.62 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.55 1si8 h GLU 388 Cb 2.19 0.00 0.09 0.00 0.50 0.00 0.00 28.75 31.53 1si8 h GLU 388 CO -0.13 0.29 0.37 0.95 0.07 0.00 0.00 179.01 180.56 1si8 s THR 389 N -4.32 3.51 0.22 -1.06 -4.23 -0.52 -4.96 115.64 104.29 1si8 s THR 389 Ca -0.03 0.67 -0.32 0.00 -1.18 0.00 0.00 61.69 60.83 1si8 s THR 389 Cb 0.15 -3.21 -0.14 0.00 1.34 0.00 0.00 72.50 70.64 1si8 s THR 389 CO 0.70 -0.47 1.41 -0.81 -0.54 0.00 0.00 174.62 174.92 1si8 n PRO 390 N -2.43 1.99 -4.24 3.99 -0.04 -1.26 -5.01 135.00 127.99 1si8 n PRO 390 Ca 0.09 0.71 -0.18 0.00 -0.04 0.00 0.00 63.50 64.09 1si8 n PRO 390 Cb 0.52 -2.37 -0.11 0.00 -0.04 0.00 0.00 33.50 31.50 1si8 n PRO 390 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1si8 s LYS 391 N -0.23 1.01 0.81 0.54 -0.14 -1.26 -5.04 119.74 115.43 1si8 s LYS 391 Ca 0.70 -1.23 -0.13 0.00 -1.36 0.00 0.00 55.97 53.95 1si8 s LYS 391 Cb -0.67 -0.87 0.09 0.00 -1.68 0.00 0.00 37.83 34.69 1si8 s LYS 391 CO 0.48 0.17 1.20 -1.83 -0.76 0.00 0.00 175.35 174.61 1si8 s GLU 392 N -2.66 1.58 -0.48 1.68 -1.05 -1.26 -5.00 118.70 111.51 1si8 s GLU 392 Ca 0.08 1.75 0.04 0.00 -0.15 0.00 0.00 54.97 56.70 1si8 s GLU 392 Cb -0.05 -1.77 0.12 0.00 -0.44 0.00 0.00 34.13 32.00 1si8 s GLU 392 CO 0.03 -2.26 0.21 0.34 0.95 0.00 0.00 175.26 174.54 1si8 s ASP 393 N -2.18 4.38 0.55 0.83 3.68 -1.26 -4.97 116.67 117.71 1si8 s ASP 393 Ca 0.73 -2.82 0.38 0.00 2.13 0.00 0.00 52.55 52.97 1si8 s ASP 393 Cb -0.28 -1.61 1.55 0.00 -1.45 0.00 0.00 42.92 41.12 1si8 s ASP 393 CO 0.51 -0.26 1.75 -0.65 0.13 0.00 0.00 175.17 176.65 1si8 h PRO 394 N 6.74 0.00 -0.11 4.34 0.11 -2.01 0.37 132.00 141.44 1si8 h PRO 394 Ca -0.07 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1si8 h PRO 394 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1si8 h PRO 394 CO 0.65 0.00 0.09 1.15 -0.21 0.00 0.00 178.00 179.68 1si8 h THR 395 N 0.00 0.76 -0.06 -1.15 2.02 -2.03 -2.18 112.91 110.26 1si8 h THR 395 Ca 0.60 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.78 1si8 h THR 395 Cb 2.47 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1si8 h THR 395 CO -0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1si8 n ALA 396 N -2.47 2.57 -1.67 6.16 0.00 0.13 -4.94 120.51 120.29 1si8 n ALA 396 Ca -0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 1si8 n ALA 396 Cb 0.21 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.51 1si8 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1si8 n LYS 397 N 0.07 1.51 -1.50 0.00 5.02 -0.82 -4.95 118.16 117.48 1si8 n LYS 397 Ca 0.18 0.55 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 1si8 n LYS 397 Cb 0.31 -2.30 0.06 0.00 -0.02 0.00 0.00 35.03 33.07 1si8 n LYS 397 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1si8 s ILE 398 N -1.31 3.86 0.20 -0.18 -4.36 -1.26 -4.97 121.20 113.18 1si8 s ILE 398 Ca 0.67 0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 61.37 1si8 s ILE 398 Cb -0.47 -3.29 -0.08 0.00 1.25 0.00 0.00 42.46 39.86 1si8 s ILE 398 CO 0.53 -0.79 1.22 -0.94 0.24 0.00 0.00 174.94 175.20 1si8 s SER 399 N -3.71 7.04 0.38 4.36 1.04 -1.26 -4.99 113.70 116.57 1si8 s SER 399 Ca 0.59 2.29 -0.23 0.00 0.48 0.00 0.00 55.95 59.07 1si8 s SER 399 Cb -0.15 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.26 1si8 s SER 399 CO 0.55 -0.40 0.95 -0.94 0.98 0.00 0.00 173.24 174.38 1si8 s SER 400 N 0.11 7.09 0.04 7.02 1.04 -1.26 -5.06 113.70 122.68 1si8 s SER 400 Ca 0.53 1.77 -0.00 0.00 0.48 0.00 0.00 55.95 58.72 1si8 s SER 400 Cb -0.34 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.19 1si8 s SER 400 CO 0.38 -0.25 -0.03 0.72 0.98 0.00 0.00 173.24 175.04 1si8 s PHE 401 N -1.92 0.40 0.36 5.02 -0.71 -1.26 -5.15 117.98 114.72 1si8 s PHE 401 Ca 0.57 -0.80 -0.26 0.00 -1.04 0.00 0.00 56.93 55.40 1si8 s PHE 401 Cb -0.14 -0.29 -0.09 0.00 -1.21 0.00 0.00 43.02 41.29 1si8 s PHE 401 CO 0.18 -0.28 1.10 -2.00 -1.34 0.00 0.00 175.22 172.88 1si8 s GLU 402 N -2.71 4.27 -0.01 1.99 2.12 -1.26 -5.06 118.70 118.05 1si8 s GLU 402 Ca -0.04 1.70 0.06 0.00 0.36 0.00 0.00 54.97 57.05 1si8 s GLU 402 Cb -0.01 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.57 1si8 s GLU 402 CO -0.05 -0.09 -0.18 0.54 -0.54 0.00 0.00 175.26 174.93 1si8 s VAL 403 N -1.43 2.75 0.12 3.70 0.11 -1.26 -5.14 120.40 119.25 1si8 s VAL 403 Ca 0.53 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1si8 s VAL 403 Cb -0.28 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 1si8 s VAL 403 CO 0.35 0.50 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.92 1si8 s GLU 404 N -0.96 0.94 3.57 1.54 0.41 -1.26 -5.12 118.70 117.82 1si8 s GLU 404 Ca 0.12 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1si8 s GLU 404 Cb -0.10 -0.49 0.00 0.00 -1.78 0.00 0.00 34.13 31.76 1si8 s GLU 404 CO 0.02 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 1si8 n GLY 405 N 0.08 0.30 3.69 -1.39 0.00 -1.26 -4.91 105.19 101.70 1si8 n GLY 405 Ca -0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 1si8 n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 406 N -4.00 4.94 0.12 1.61 0.01 -1.26 -5.08 114.94 111.28 1si8 s ASN 406 Ca 0.00 -0.33 -0.31 0.00 -0.71 0.00 0.00 52.86 51.52 1si8 s ASN 406 Cb 0.00 -1.11 -0.07 0.00 0.41 0.00 0.00 41.25 40.47 1si8 s ASN 406 CO 0.00 0.09 1.26 -0.69 -1.51 0.00 0.00 177.10 176.25 1si8 s VAL 407 N -1.71 3.67 -0.03 1.60 1.01 -1.26 -4.94 120.40 118.74 1si8 s VAL 407 Ca 0.28 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.34 1si8 s VAL 407 Cb -0.10 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1si8 s VAL 407 CO 0.20 0.13 0.78 0.61 0.00 0.00 0.00 175.10 176.81 1si8 n GLY 408 N 2.98 0.31 3.28 4.51 0.00 -1.26 -5.09 105.19 109.91 1si8 n GLY 408 Ca 0.08 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 1si8 n GLY 408 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 409 N -2.70 6.26 0.04 1.61 0.01 -1.26 -5.06 114.94 113.83 1si8 s ASN 409 Ca 0.18 -2.31 -0.06 0.00 -0.71 0.00 0.00 52.86 49.96 1si8 s ASN 409 Cb -0.00 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.47 1si8 s ASN 409 CO -0.01 -0.66 0.30 -0.31 -1.51 0.00 0.00 177.10 174.91 1si8 s TYR 410 N 0.76 3.56 0.14 2.20 1.51 -1.26 -5.10 117.35 119.16 1si8 s TYR 410 Ca 0.11 0.58 -0.02 0.00 -1.01 0.00 0.00 57.07 56.74 1si8 s TYR 410 Cb -0.20 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1si8 s TYR 410 CO -0.03 0.58 0.33 -1.12 -1.11 0.00 0.00 175.55 174.19 1si8 s SER 411 N -1.85 6.41 0.86 2.29 0.01 -1.26 -5.11 113.70 115.05 1si8 s SER 411 Ca 0.30 0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.91 1si8 s SER 411 Cb -0.13 -2.02 0.16 0.00 0.21 0.00 0.00 66.02 64.24 1si8 s SER 411 CO 0.18 0.06 0.98 -1.22 0.41 0.00 0.00 173.24 173.65 1si8 n TYR 412 N -0.10 -3.56 -0.98 2.43 4.01 -1.26 -5.07 117.16 112.63 1si8 n TYR 412 Ca -0.04 -1.20 -0.34 0.00 -0.16 0.00 0.00 57.90 56.16 1si8 n TYR 412 Cb 0.52 -0.74 0.10 0.00 -0.31 0.00 0.00 39.34 38.91 1si8 n TYR 412 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1si8 n ASN 413 N -3.36 -1.82 -0.57 7.72 5.15 -1.26 -4.98 115.26 116.14 1si8 n ASN 413 Ca 0.14 0.43 0.05 0.00 -0.60 0.00 0.00 54.58 54.60 1si8 n ASN 413 Cb 0.48 -1.20 0.14 0.00 -0.53 0.00 0.00 39.78 38.67 1si8 n ASN 413 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 414 N -1.23 2.81 -2.42 1.20 6.02 -1.26 -4.84 117.38 117.67 1si8 n GLN 414 Ca 0.08 -1.97 -0.43 0.00 -0.01 0.00 0.00 57.00 54.67 1si8 n GLN 414 Cb 0.52 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1si8 n GLN 414 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1si8 n ASP 415 N 0.42 4.74 -0.23 1.08 2.03 -1.26 -4.67 116.55 118.66 1si8 n ASP 415 Ca 0.10 -2.91 0.12 0.00 0.52 0.00 0.00 54.79 52.63 1si8 n ASP 415 Cb 0.40 -1.72 0.19 0.00 -0.72 0.00 0.00 41.12 39.27 1si8 n ASP 415 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1si8 n HIS 416 N 7.83 0.00 -0.07 -0.67 8.25 -1.26 -4.60 115.22 124.69 1si8 n HIS 416 Ca 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.87 1si8 n HIS 416 Cb 0.44 -0.10 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 1si8 n HIS 416 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1si8 n PHE 417 N -0.77 0.00 -0.01 4.41 3.72 -1.26 -4.50 117.46 119.05 1si8 n PHE 417 Ca 0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1si8 n PHE 417 Cb 0.37 -0.62 -0.05 0.00 -0.94 0.00 0.00 39.48 38.25 1si8 n PHE 417 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1si8 h THR 418 N 0.00 0.18 -0.11 4.37 2.02 -1.91 -1.24 112.91 116.22 1si8 h THR 418 Ca -0.35 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1si8 h THR 418 Cb 1.67 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1si8 h THR 418 CO -0.02 0.00 -0.29 1.56 0.37 0.00 0.00 175.52 177.14 1si8 h GLN 419 N -0.45 0.21 -0.48 6.66 4.20 -1.88 -1.57 115.11 121.80 1si8 h GLN 419 Ca 0.09 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1si8 h GLN 419 Cb 0.60 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1si8 h GLN 419 CO -0.40 0.49 -0.13 0.00 -0.67 0.00 0.00 178.83 178.12 1si8 h ALA 420 N 1.51 0.86 -0.57 3.87 0.00 -1.74 -2.04 119.26 121.15 1si8 h ALA 420 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1si8 h ALA 420 Cb 0.62 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1si8 h ALA 420 CO 0.05 0.64 -0.01 -0.97 0.00 0.00 0.00 179.25 178.96 1si8 h ASN 421 N 0.81 0.99 -0.72 0.00 -1.24 -0.80 0.12 115.58 114.75 1si8 h ASN 421 Ca 0.13 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.84 1si8 h ASN 421 Cb 0.66 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 1si8 h ASN 421 CO 0.05 1.07 0.46 0.00 -1.29 0.00 0.00 177.43 177.72 1si8 h ALA 422 N 0.96 0.92 -0.25 1.57 0.00 -1.05 0.13 119.26 121.55 1si8 h ALA 422 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1si8 h ALA 422 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1si8 h ALA 422 CO 0.03 0.28 0.01 1.25 0.00 0.00 0.00 179.25 180.82 1si8 h LEU 423 N 0.93 0.43 -1.23 0.00 5.85 -1.10 -2.47 115.31 117.71 1si8 h LEU 423 Ca 0.27 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1si8 h LEU 423 Cb -0.05 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1si8 h LEU 423 CO -0.08 0.63 0.55 0.22 -0.34 0.00 0.00 178.44 179.42 1si8 h TYR 424 N 0.22 0.93 0.00 1.25 5.03 -0.48 -0.94 116.97 122.98 1si8 h TYR 424 Ca 0.07 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1si8 h TYR 424 Cb 0.40 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1si8 h TYR 424 CO 0.03 0.47 -0.12 -0.91 -1.32 0.00 0.00 178.16 176.31 1si8 h ASN 425 N 0.90 0.00 1.20 -2.11 2.35 -0.77 -3.17 115.58 113.97 1si8 h ASN 425 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1si8 h ASN 425 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1si8 h ASN 425 CO -0.14 0.12 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.22 1si8 h LEU 426 N 0.00 0.00 -9.55 1.61 3.38 -0.71 -3.46 115.31 106.57 1si8 h LEU 426 Ca -0.00 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 1si8 h LEU 426 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1si8 h LEU 426 CO 0.02 0.05 0.62 -0.76 0.09 0.00 0.00 178.44 178.45 1si8 s LEU 427 N -4.82 4.39 0.61 1.67 1.43 -1.01 -5.00 118.68 115.94 1si8 s LEU 427 Ca 0.06 2.18 -0.18 0.00 -1.03 0.00 0.00 54.13 55.16 1si8 s LEU 427 Cb 0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1si8 s LEU 427 CO 0.70 -0.52 1.19 -2.16 0.23 0.00 0.00 176.35 175.79 1si8 s PRO 428 N 0.77 2.93 0.30 1.29 0.04 -1.26 -4.69 135.00 134.38 1si8 s PRO 428 Ca 0.60 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1si8 s PRO 428 Cb -0.33 -1.93 0.75 0.00 0.04 0.00 0.00 34.50 33.02 1si8 s PRO 428 CO 0.31 -1.22 1.59 0.66 0.04 0.00 0.00 177.00 178.38 1si8 h SER 429 N 0.74 -0.36 -0.35 6.66 4.64 -1.98 0.69 113.55 123.57 1si8 h SER 429 Ca -0.50 0.26 -0.07 0.00 -0.47 0.00 0.00 61.79 61.01 1si8 h SER 429 Cb 1.29 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 1si8 h SER 429 CO 0.55 -0.32 -0.01 1.05 -0.87 0.00 0.00 176.83 177.23 1si8 h GLU 430 N 0.04 0.73 -0.00 4.77 9.09 -2.00 -2.01 114.58 125.19 1si8 h GLU 430 Ca 0.59 -0.19 -0.16 0.00 0.05 0.00 0.00 59.36 59.64 1si8 h GLU 430 Cb 1.22 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 1si8 h GLU 430 CO -0.85 0.75 -0.77 1.49 0.05 0.00 0.00 179.01 179.67 1si8 h GLU 431 N 0.68 0.03 -0.62 1.06 4.81 -1.25 -2.96 114.58 116.33 1si8 h GLU 431 Ca 0.13 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1si8 h GLU 431 Cb 0.43 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1si8 h GLU 431 CO 0.02 0.79 0.12 0.87 -0.73 0.00 0.00 179.01 180.07 1si8 h LYS 432 N 0.02 1.01 -0.90 1.92 1.57 -0.84 0.90 116.57 120.25 1si8 h LYS 432 Ca -0.01 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1si8 h LYS 432 Cb 1.37 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1si8 h LYS 432 CO 0.10 0.93 0.58 1.49 -0.57 0.00 0.00 179.45 181.98 1si8 h GLU 433 N 0.92 1.20 -0.45 3.15 4.57 -1.35 -0.66 114.58 121.96 1si8 h GLU 433 Ca 0.19 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1si8 h GLU 433 Cb 0.40 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1si8 h GLU 433 CO 0.01 0.81 0.01 -0.91 -1.18 0.00 0.00 179.01 177.75 1si8 h ASN 434 N 1.22 0.77 -0.23 1.04 2.35 -1.27 -0.46 115.58 119.01 1si8 h ASN 434 Ca 0.33 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1si8 h ASN 434 Cb -0.11 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 1si8 h ASN 434 CO -0.07 0.88 -0.04 0.25 -1.65 0.00 0.00 177.43 176.80 1si8 h LEU 435 N 0.63 -0.17 -0.18 1.61 7.12 -0.27 0.30 115.31 124.36 1si8 h LEU 435 Ca 0.13 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 1si8 h LEU 435 Cb 0.48 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1si8 h LEU 435 CO 0.02 -0.06 0.07 0.40 -0.13 0.00 0.00 178.44 178.74 1si8 h ILE 436 N 0.02 1.17 -0.47 4.05 1.08 -0.99 -1.87 117.51 120.50 1si8 h ILE 436 Ca 0.11 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1si8 h ILE 436 Cb 0.16 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 1si8 h ILE 436 CO -0.22 0.16 0.08 0.78 -0.69 0.00 0.00 178.15 178.26 1si8 h ASN 437 N 0.12 0.68 -0.46 1.72 2.35 -0.76 0.14 115.58 119.36 1si8 h ASN 437 Ca 0.06 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1si8 h ASN 437 Cb 0.19 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1si8 h ASN 437 CO -0.00 0.69 0.09 0.78 -1.65 0.00 0.00 177.43 177.34 1si8 h ASN 438 N 0.70 0.72 -0.19 5.81 2.35 -0.22 -0.69 115.58 124.06 1si8 h ASN 438 Ca 0.15 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1si8 h ASN 438 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1si8 h ASN 438 CO 0.00 0.79 -0.01 0.40 -1.65 0.00 0.00 177.43 176.96 1si8 h ILE 439 N 0.63 1.27 -0.53 2.81 2.04 -0.93 -2.85 117.51 119.93 1si8 h ILE 439 Ca 0.14 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1si8 h ILE 439 Cb 0.36 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1si8 h ILE 439 CO 0.01 0.28 0.23 0.00 0.00 0.00 0.00 178.15 178.66 1si8 h ALA 440 N 0.77 0.68 -0.31 1.87 0.00 -0.59 0.51 119.26 122.17 1si8 h ALA 440 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1si8 h ALA 440 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1si8 h ALA 440 CO 0.01 -0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.32 1si8 h ALA 441 N 1.33 1.83 0.00 0.00 0.00 -1.08 0.36 119.26 121.70 1si8 h ALA 441 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1si8 h ALA 441 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1si8 h ALA 441 CO -0.22 0.14 -0.52 1.03 0.00 0.00 0.00 179.25 179.68 1si8 h SER 442 N 0.38 0.00 0.01 0.00 0.87 -1.06 -3.37 113.55 110.37 1si8 h SER 442 Ca 0.12 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1si8 h SER 442 Cb 0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1si8 h SER 442 CO -0.03 0.79 -0.02 0.25 -0.53 0.00 0.00 176.83 177.29 1si8 h LEU 443 N -1.00 0.04 -1.39 2.23 5.85 -0.09 -1.73 115.31 119.22 1si8 h LEU 443 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1si8 h LEU 443 Cb 0.53 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1si8 h LEU 443 CO -0.01 0.07 0.00 1.23 -0.34 0.00 0.00 178.44 179.39 1si8 h GLY 444 N 0.17 0.00 1.51 3.75 0.00 -0.41 -1.97 103.07 106.13 1si8 h GLY 444 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1si8 h GLY 444 CO 0.00 0.00 -0.26 -1.06 0.00 0.00 0.00 176.54 175.23 1si8 n GLN 445 N -2.46 0.03 -2.30 4.80 6.02 -0.65 -4.87 117.38 117.95 1si8 n GLN 445 Ca -0.00 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 1si8 n GLN 445 Cb 0.14 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1si8 n GLN 445 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1si8 s VAL 446 N -3.01 3.13 -0.19 5.09 1.01 -0.74 -4.82 120.40 120.86 1si8 s VAL 446 Ca 0.12 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 63.07 1si8 s VAL 446 Cb 0.18 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.70 1si8 s VAL 446 CO 0.62 0.20 0.12 0.29 0.00 0.00 0.00 175.10 176.32 1si8 n LYS 447 N 0.65 0.67 -1.79 2.72 4.76 -1.26 -4.83 118.16 119.08 1si8 n LYS 447 Ca 0.01 0.32 -0.39 0.00 -2.87 0.00 0.00 58.31 55.39 1si8 n LYS 447 Cb 0.44 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1si8 n LYS 447 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1si8 s ASN 448 N -6.96 5.05 0.54 4.39 3.84 -1.26 -4.82 114.94 115.72 1si8 s ASN 448 Ca -0.29 0.98 0.22 0.00 0.21 0.00 0.00 52.86 53.98 1si8 s ASN 448 Cb 0.08 -2.51 1.40 0.00 -0.55 0.00 0.00 41.25 39.67 1si8 s ASN 448 CO 0.65 -2.43 2.11 1.56 -2.79 0.00 0.00 177.10 176.20 1si8 h GLN 449 N 16.53 0.00 -0.05 0.43 4.20 -2.00 -0.59 115.11 133.63 1si8 h GLN 449 Ca -0.28 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 1si8 h GLN 449 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1si8 h GLN 449 CO 1.13 0.00 -0.36 0.93 -0.67 0.00 0.00 178.83 179.86 1si8 h GLU 450 N 0.00 0.10 -0.10 1.46 5.08 -1.99 -1.11 114.58 118.01 1si8 h GLU 450 Ca 0.09 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1si8 h GLU 450 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1si8 h GLU 450 CO -0.00 0.45 -0.36 0.82 -1.00 0.00 0.00 179.01 178.92 1si8 h ILE 451 N 0.09 1.39 -0.49 3.13 2.04 -1.50 -2.13 117.51 120.03 1si8 h ILE 451 Ca 0.01 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1si8 h ILE 451 Cb 0.68 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1si8 h ILE 451 CO 0.05 0.50 0.30 0.40 0.00 0.00 0.00 178.15 179.40 1si8 h ILE 452 N -0.01 1.15 -0.29 -0.67 2.04 -1.31 -1.29 117.51 117.12 1si8 h ILE 452 Ca -0.02 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1si8 h ILE 452 Cb 0.99 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1si8 h ILE 452 CO 0.08 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.53 1si8 h ALA 453 N 1.14 0.38 -0.62 1.87 0.00 -1.24 0.93 119.26 121.73 1si8 h ALA 453 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1si8 h ALA 453 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1si8 h ALA 453 CO -0.03 -0.07 0.37 -0.09 0.00 0.00 0.00 179.25 179.43 1si8 h ARG 454 N 0.35 0.70 -0.37 0.00 2.43 -1.18 0.12 114.38 116.43 1si8 h ARG 454 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1si8 h ARG 454 Cb 0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1si8 h ARG 454 CO -0.01 0.46 -0.01 0.37 -1.51 0.00 0.00 179.97 179.27 1si8 h GLN 455 N 0.72 0.66 -0.56 0.20 5.75 -0.95 -2.24 115.11 118.70 1si8 h GLN 455 Ca 0.25 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1si8 h GLN 455 Cb 0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1si8 h GLN 455 CO -0.12 0.77 0.17 0.82 -2.65 0.00 0.00 178.83 177.83 1si8 h ILE 456 N 0.48 1.22 -0.28 2.39 2.04 -0.45 -0.78 117.51 122.12 1si8 h ILE 456 Ca 0.10 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1si8 h ILE 456 Cb 0.48 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1si8 h ILE 456 CO 0.02 0.28 -0.03 0.44 0.00 0.00 0.00 178.15 178.87 1si8 h ASP 457 N 0.81 0.40 -0.22 1.72 3.32 -0.77 0.45 116.42 122.13 1si8 h ASP 457 Ca 0.19 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1si8 h ASP 457 Cb 0.24 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1si8 h ASP 457 CO -0.01 0.49 0.01 -0.07 -1.72 0.00 0.00 179.24 177.94 1si8 h LEU 458 N 0.41 0.38 -0.76 1.55 4.07 -0.59 -1.25 115.31 119.12 1si8 h LEU 458 Ca 0.09 -0.30 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 1si8 h LEU 458 Cb 0.32 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1si8 h LEU 458 CO 0.01 0.58 0.10 -0.26 -1.08 0.00 0.00 178.44 177.80 1si8 h PHE 459 N 0.16 1.10 -0.71 1.13 0.04 -0.77 -2.05 116.94 115.85 1si8 h PHE 459 Ca 0.06 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1si8 h PHE 459 Cb 0.38 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1si8 h PHE 459 CO 0.03 0.93 0.47 1.15 -0.60 0.00 0.00 178.31 180.29 1si8 h THR 460 N 0.98 1.17 0.00 -1.55 2.02 -0.74 -0.49 112.91 114.30 1si8 h THR 460 Ca 0.20 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1si8 h THR 460 Cb 0.42 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1si8 h THR 460 CO 0.01 0.17 -0.15 0.03 0.37 0.00 0.00 175.52 175.96 1si8 h ARG 461 N 0.95 0.00 -0.01 6.66 3.08 -0.53 -2.64 114.38 121.89 1si8 h ARG 461 Ca 0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1si8 h ARG 461 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1si8 h ARG 461 CO -0.06 0.15 -0.14 0.28 -1.07 0.00 0.00 179.97 179.13 1si8 h VAL 462 N 0.00 1.54 -1.87 2.04 2.07 -0.70 -3.47 116.25 115.87 1si8 h VAL 462 Ca -0.00 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1si8 h VAL 462 Cb 0.61 2.67 -0.22 0.00 -1.52 0.00 0.00 31.29 32.82 1si8 h VAL 462 CO 0.02 0.48 0.09 0.21 0.02 0.00 0.00 177.57 178.39 1si8 s ASN 463 N -6.14 -0.86 0.28 0.57 2.47 -0.63 -4.54 114.94 106.08 1si8 s ASN 463 Ca -0.16 1.35 0.01 0.00 0.42 0.00 0.00 52.86 54.48 1si8 s ASN 463 Cb 0.01 1.45 0.60 0.00 -1.45 0.00 0.00 41.25 41.87 1si8 s ASN 463 CO 0.72 -0.21 1.76 -0.65 -3.72 0.00 0.00 177.10 175.00 1si8 h PRO 464 N 6.92 0.61 -0.56 0.43 0.11 -1.72 -0.88 132.00 136.90 1si8 h PRO 464 Ca -0.28 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 1si8 h PRO 464 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1si8 h PRO 464 CO 0.16 0.40 0.06 1.49 -0.21 0.00 0.00 178.00 179.90 1si8 h GLU 465 N 0.63 0.95 0.23 1.05 4.81 -1.91 -1.19 114.58 119.14 1si8 h GLU 465 Ca 0.50 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1si8 h GLU 465 Cb 0.76 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1si8 h GLU 465 CO -0.39 0.93 -0.47 -0.92 -0.73 0.00 0.00 179.01 177.42 1si8 h TYR 466 N 0.84 -1.33 -0.82 0.92 5.03 -1.45 0.22 116.97 120.38 1si8 h TYR 466 Ca 0.17 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.48 1si8 h TYR 466 Cb 0.46 0.55 -0.04 0.00 1.55 0.00 0.00 36.73 39.26 1si8 h TYR 466 CO 0.03 -0.58 0.44 0.78 -1.32 0.00 0.00 178.16 177.51 1si8 h GLY 467 N -0.78 1.23 0.94 1.82 0.00 -1.41 -1.97 103.07 102.90 1si8 h GLY 467 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1si8 h GLY 467 CO -0.20 0.54 0.10 0.00 0.00 0.00 0.00 176.54 176.98 1si8 h ALA 468 N 1.23 0.24 -0.86 3.60 0.00 -0.83 -1.12 119.26 121.52 1si8 h ALA 468 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1si8 h ALA 468 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1si8 h ALA 468 CO -0.04 -0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.45 1si8 h ARG 469 N 0.20 1.19 -0.08 0.00 3.08 -0.42 -1.12 114.38 117.23 1si8 h ARG 469 Ca 0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1si8 h ARG 469 Cb 0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1si8 h ARG 469 CO -0.01 0.87 0.03 0.28 -1.07 0.00 0.00 179.97 180.07 1si8 h VAL 470 N 1.19 1.17 -1.00 2.04 2.07 -1.15 -0.98 116.25 119.58 1si8 h VAL 470 Ca 0.30 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1si8 h VAL 470 Cb 0.02 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1si8 h VAL 470 CO -0.05 0.14 0.65 0.00 0.02 0.00 0.00 177.57 178.34 1si8 h ALA 471 N 0.84 1.36 -0.30 1.67 0.00 -0.97 -2.09 119.26 119.77 1si8 h ALA 471 Ca 0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1si8 h ALA 471 Cb 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1si8 h ALA 471 CO -0.00 0.50 -0.51 0.37 0.00 0.00 0.00 179.25 179.61 1si8 h GLN 472 N 1.23 0.88 -0.93 0.00 5.75 -1.03 -2.36 115.11 118.64 1si8 h GLN 472 Ca 0.41 -0.54 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1si8 h GLN 472 Cb 0.07 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1si8 h GLN 472 CO -0.15 1.18 0.53 0.00 -2.65 0.00 0.00 178.83 177.75 1si8 h ALA 473 N 0.69 1.19 -0.55 3.38 0.00 -0.85 -2.20 119.26 120.91 1si8 h ALA 473 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1si8 h ALA 473 Cb 1.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1si8 h ALA 473 CO 0.12 0.67 0.04 0.82 0.00 0.00 0.00 179.25 180.89 1si8 h ILE 474 N 1.29 1.26 -0.31 0.00 2.04 -1.33 -2.75 117.51 117.71 1si8 h ILE 474 Ca 0.33 -1.06 0.09 0.00 1.00 0.00 0.00 64.86 65.22 1si8 h ILE 474 Cb -0.01 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1si8 h ILE 474 CO -0.06 0.38 0.24 0.50 0.00 0.00 0.00 178.15 179.21 1si8 h LYS 475 N 0.84 0.00 -0.99 2.37 3.64 -0.85 -1.61 116.57 119.96 1si8 h LYS 475 Ca 0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1si8 h LYS 475 Cb 0.49 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1si8 h LYS 475 CO 0.02 0.00 0.09 1.04 -2.27 0.00 0.00 179.45 178.33 1si8 n GLN 476 N -4.34 1.24 0.00 1.90 6.02 -1.02 -5.11 117.38 116.07 1si8 n GLN 476 Ca 0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1si8 n GLN 476 Cb 0.41 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1si8 n GLN 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09